1-benzyl-4-methyl-3-(methylamino)azepan-2-one;1-(furan-3-yl)-4-methyl-3-(methylamino)azepan-2-one;1-(1H-imidazol-5-yl)-4-methyl-3-(methylamino)azepan-2-one;4-methyl-3-(methylamino)-1-(pyridazin-3-ylmethyl)azepan-2-one;4-methyl-3-(methylamino)-1-(pyridin-2-ylmethyl)azepan-2-one;4-methyl-3-(methylamino)-1-(pyridin-3-ylmethyl)azepan-2-one;4-methyl-3-(methylamino)-1-(pyridin-4-ylmethyl)azepan-2-one;4-methyl-3-(methylamino)-1-(1H-pyrrol-3-yl)azepan-2-one;4-methyl-3-(methylamino)-1-(1,3-thiazol-4-yl)azepan-2-one;4-methyl-3-(methylamino)-1-thiophen-3-ylazepan-2-one

C128H195N29O11S2 — CID 157428123

IUPAC1-benzyl-4-methyl-3-(methylamino)azepan-2-one;1-(furan-3-yl)-4-methyl-3-(methylamino)azepan-2-one;1-(1H-imidazol-5-yl)-4-methyl-3-(methylamino)azepan-2-one;4-methyl-3-(methylamino)-1-(pyridazin-3-ylmethyl)azepan-2-one;4-methyl-3-(methylamino)-1-(pyridin-2-ylmethyl)azepan-2-one;4-methyl-3-(methylamino)-1-(pyridin-3-ylmethyl)azepan-2-one;4-methyl-3-(methylamino)-1-(pyridin-4-ylmethyl)azepan-2-one;4-methyl-3-(methylamino)-1-(1H-pyrrol-3-yl)azepan-2-one;4-methyl-3-(methylamino)-1-(1,3-thiazol-4-yl)azepan-2-one;4-methyl-3-(methylamino)-1-thiophen-3-ylazepan-2-one
SMILESCNC1C(=O)N(Cc2ccccc2)CCCC1C.CNC1C(=O)N(Cc2ccccn2)CCCC1C.CNC1C(=O)N(Cc2cccnc2)CCCC1C.CNC1C(=O)N(Cc2cccnn2)CCCC1C.CNC1C(=O)N(Cc2ccncc2)CCCC1C.CNC1C(=O)N(c2cc[nH]c2)CCCC1C.CNC1C(=O)N(c2ccoc2)CCCC1C.CNC1C(=O)N(c2ccsc2)CCCC1C.CNC1C(=O)N(c2cnc[nH]2)CCCC1C.CNC1C(=O)N(c2cscn2)CCCC1C
InChIInChI=1S/C15H22N2O.3C14H21N3O.C13H20N4O.C12H19N3O.C12H18N2O2.C12H18N2OS.C11H18N4O.C11H17N3OS/c1-12-7-6-10-17(15(18)14(12)16-2)11-13-8-4-3-5-9-13;1-11-5-4-8-17(14(18)13(11)15-2)10-12-6-3-7-16-9-12;1-11-4-3-9-17(14(18)13(11)15-2)10-12-5-7-16-8-6-12;1-11-6-5-9-17(14(18)13(11)15-2)10-12-7-3-4-8-16-12;1-10-5-4-8-17(13(18)12(10)14-2)9-11-6-3-7-15-16-11;1-9-4-3-7-15(10-5-6-14-8-10)12(16)11(9)13-2;2*1-9-4-3-6-14(10-5-7-16-8-10)12(15)11(9)13-2;1-8-4-3-5-15(9-6-13-7-14-9)11(16)10(8)12-2;1-8-4-3-5-14(9-6-16-7-13-9)11(15)10(8)12-2/h3-5,8-9,12,14,16H,6-7,10-11H2,1-2H3;3,6-7,9,11,13,15H,4-5,8,10H2,1-2H3;5-8,11,13,15H,3-4,9-10H2,1-2H3;3-4,7-8,11,13,15H,5-6,9-10H2,1-2H3;3,6-7,10,12,14H,4-5,8-9H2,1-2H3;5-6,8-9,11,13-14H,3-4,7H2,1-2H3;2*5,7-9,11,13H,3-4,6H2,1-2H3;6-8,10,12H,3-5H2,1-2H3,(H,13,14);6-8,10,12H,3-5H2,1-2H3
InChIKeyBQEXVUNBIRTUTK-UHFFFAOYSA-N
MW2380.29 g/mol
LogP14.49
Rot. Bonds25

About 1-benzyl-4-methyl-3-(methylamino)azepan-2-one;1-(furan-3-yl)-4-methyl-3-(methylamino)azepan-2-one;1-(1H-imidazol-5-yl)-4-methyl-3-(methylamino)azepan-2-one;4-methyl-3-(methylamino)-1-(pyridazin-3-ylmethyl)azepan-2-one;4-methyl-3-(methylamino)-1-(pyridin-2-ylmethyl)azepan-2-one;4-methyl-3-(methylamino)-1-(pyridin-3-ylmethyl)azepan-2-one;4-methyl-3-(methylamino)-1-(pyridin-4-ylmethyl)azepan-2-one;4-methyl-3-(methylamino)-1-(1H-pyrrol-3-yl)azepan-2-one;4-methyl-3-(methylamino)-1-(1,3-thiazol-4-yl)azepan-2-one;4-methyl-3-(methylamino)-1-thiophen-3-ylazepan-2-one

1-benzyl-4-methyl-3-(methylamino)azepan-2-one;1-(furan-3-yl)-4-methyl-3-(methylamino)azepan-2-one;1-(1H-imidazol-5-yl)-4-methyl-3-(methylamino)azepan-2-one;4-methyl-3-(methylamino)-1-(pyridazin-3-ylmethyl)azepan-2-one;4-methyl-3-(methylamino)-1-(pyridin-2-ylmethyl)azepan-2-one;4-methyl-3-(methylamino)-1-(pyridin-3-ylmethyl)azepan-2-one;4-methyl-3-(methylamino)-1-(pyridin-4-ylmethyl)azepan-2-one;4-methyl-3-(methylamino)-1-(1H-pyrrol-3-yl)azepan-2-one;4-methyl-3-(methylamino)-1-(1,3-thiazol-4-yl)azepan-2-one;4-methyl-3-(methylamino)-1-thiophen-3-ylazepan-2-one (PubChem CID 157428123) has the molecular formula C128H195N29O11S2 and a molecular weight of 2380.29 g/mol. Its IUPAC name is 1-benzyl-4-methyl-3-(methylamino)azepan-2-one;1-(furan-3-yl)-4-methyl-3-(methylamino)azepan-2-one;1-(1H-imidazol-5-yl)-4-methyl-3-(methylamino)azepan-2-one;4-methyl-3-(methylamino)-1-(pyridazin-3-ylmethyl)azepan-2-one;4-methyl-3-(methylamino)-1-(pyridin-2-ylmethyl)azepan-2-one;4-methyl-3-(methylamino)-1-(pyridin-3-ylmethyl)azepan-2-one;4-methyl-3-(methylamino)-1-(pyridin-4-ylmethyl)azepan-2-one;4-methyl-3-(methylamino)-1-(1H-pyrrol-3-yl)azepan-2-one;4-methyl-3-(methylamino)-1-(1,3-thiazol-4-yl)azepan-2-one;4-methyl-3-(methylamino)-1-thiophen-3-ylazepan-2-one.

Molecular Properties

Compound Name1-benzyl-4-methyl-3-(methylamino)azepan-2-one;1-(furan-3-yl)-4-methyl-3-(methylamino)azepan-2-one;1-(1H-imidazol-5-yl)-4-methyl-3-(methylamino)azepan-2-one;4-methyl-3-(methylamino)-1-(pyridazin-3-ylmethyl)azepan-2-one;4-methyl-3-(methylamino)-1-(pyridin-2-ylmethyl)azepan-2-one;4-methyl-3-(methylamino)-1-(pyridin-3-ylmethyl)azepan-2-one;4-methyl-3-(methylamino)-1-(pyridin-4-ylmethyl)azepan-2-one;4-methyl-3-(methylamino)-1-(1H-pyrrol-3-yl)azepan-2-one;4-methyl-3-(methylamino)-1-(1,3-thiazol-4-yl)azepan-2-one;4-methyl-3-(methylamino)-1-thiophen-3-ylazepan-2-one
PubChem CID157428123
Molecular FormulaC128H195N29O11S2
Molecular Weight2380.29 g/mol
Exact Mass2378.50
IUPAC Name1-benzyl-4-methyl-3-(methylamino)azepan-2-one;1-(furan-3-yl)-4-methyl-3-(methylamino)azepan-2-one;1-(1H-imidazol-5-yl)-4-methyl-3-(methylamino)azepan-2-one;4-methyl-3-(methylamino)-1-(pyridazin-3-ylmethyl)azepan-2-one;4-methyl-3-(methylamino)-1-(pyridin-2-ylmethyl)azepan-2-one;4-methyl-3-(methylamino)-1-(pyridin-3-ylmethyl)azepan-2-one;4-methyl-3-(methylamino)-1-(pyridin-4-ylmethyl)azepan-2-one;4-methyl-3-(methylamino)-1-(1H-pyrrol-3-yl)azepan-2-one;4-methyl-3-(methylamino)-1-(1,3-thiazol-4-yl)azepan-2-one;4-methyl-3-(methylamino)-1-thiophen-3-ylazepan-2-one
SMILESCNC1C(=O)N(Cc2ccccc2)CCCC1C.CNC1C(=O)N(Cc2ccccn2)CCCC1C.CNC1C(=O)N(Cc2cccnc2)CCCC1C.CNC1C(=O)N(Cc2cccnn2)CCCC1C.CNC1C(=O)N(Cc2ccncc2)CCCC1C.CNC1C(=O)N(c2cc[nH]c2)CCCC1C.CNC1C(=O)N(c2ccoc2)CCCC1C.CNC1C(=O)N(c2ccsc2)CCCC1C.CNC1C(=O)N(c2cnc[nH]2)CCCC1C.CNC1C(=O)N(c2cscn2)CCCC1C
InChIInChI=1S/C15H22N2O.3C14H21N3O.C13H20N4O.C12H19N3O.C12H18N2O2.C12H18N2OS.C11H18N4O.C11H17N3OS/c1-12-7-6-10-17(15(18)14(12)16-2)11-13-8-4-3-5-9-13;1-11-5-4-8-17(14(18)13(11)15-2)10-12-6-3-7-16-9-12;1-11-4-3-9-17(14(18)13(11)15-2)10-12-5-7-16-8-6-12;1-11-6-5-9-17(14(18)13(11)15-2)10-12-7-3-4-8-16-12;1-10-5-4-8-17(13(18)12(10)14-2)9-11-6-3-7-15-16-11;1-9-4-3-7-15(10-5-6-14-8-10)12(16)11(9)13-2;2*1-9-4-3-6-14(10-5-7-16-8-10)12(15)11(9)13-2;1-8-4-3-5-15(9-6-13-7-14-9)11(16)10(8)12-2;1-8-4-3-5-14(9-6-16-7-13-9)11(15)10(8)12-2/h3-5,8-9,12,14,16H,6-7,10-11H2,1-2H3;3,6-7,9,11,13,15H,4-5,8,10H2,1-2H3;5-8,11,13,15H,3-4,9-10H2,1-2H3;3-4,7-8,11,13,15H,5-6,9-10H2,1-2H3;3,6-7,10,12,14H,4-5,8-9H2,1-2H3;5-6,8-9,11,13-14H,3-4,7H2,1-2H3;2*5,7-9,11,13H,3-4,6H2,1-2H3;6-8,10,12H,3-5H2,1-2H3,(H,13,14);6-8,10,12H,3-5H2,1-2H3
InChIKeyBQEXVUNBIRTUTK-UHFFFAOYSA-N
XLogP14.49
TPSA458.35 Ų
H-Bond Donors12
H-Bond Acceptors30
Rotatable Bonds25
Heavy Atoms170
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002380.29
LogP ≤ 514.49
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1030

Analyze 1-benzyl-4-methyl-3-(methylamino)azepan-2-one;1-(furan-3-yl)-4-methyl-3-(methylamino)azepan-2-one;1-(1H-imidazol-5-yl)-4-methyl-3-(methylamino)azepan-2-one;4-methyl-3-(methylamino)-1-(pyridazin-3-ylmethyl)azepan-2-one;4-methyl-3-(methylamino)-1-(pyridin-2-ylmethyl)azepan-2-one;4-methyl-3-(methylamino)-1-(pyridin-3-ylmethyl)azepan-2-one;4-methyl-3-(methylamino)-1-(pyridin-4-ylmethyl)azepan-2-one;4-methyl-3-(methylamino)-1-(1H-pyrrol-3-yl)azepan-2-one;4-methyl-3-(methylamino)-1-(1,3-thiazol-4-yl)azepan-2-one;4-methyl-3-(methylamino)-1-thiophen-3-ylazepan-2-one with MolForge

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Related Compounds

1-(5-ethyl-1,2,4-oxadiazol-3-yl)-7-methyl-3-(methylamino)azepan-2-one;1-(furan-2-yl)-7-methyl-3-(methylamino)azepan-2-one;7-methyl-3-(methylamino)-1-(5-methyl-1,2,4-oxadiazol-3-yl)azepan-2-one;tris(7-methyl-3-(methylamino)-1-(1,3-oxazol-2-yl)azepan-2-one);7-methyl-3-(methylamino)-1-phenylazepan-2-one;7-methyl-3-(methylamino)-1-pyrazin-2-ylazepan-2-one;7-methyl-3-(methylamino)-1-pyridazin-3-ylazepan-2-one;7-methyl-3-(methylamino)-1-pyridin-2-ylazepan-2-one;7-methyl-3-(methylamino)-1-pyridin-3-ylazepan-2-one;7-methyl-3-(methylamino)-1-pyridin-4-ylazepan-2-one;7-methyl-3-(methylamino)-1-pyrimidin-4-ylazepan-2-one;7-methyl-3-(methylamino)-1-(1H-pyrrol-2-yl)azepan-2-one;7-methyl-3-(methylamino)-1-(1,3-thiazol-2-yl)azepan-2-one;7-methyl-3-(methylamino)-1-thiophen-2-ylazepan-2-one
CID 157066236
4-benzyl-6-(methylamino)-1,4-oxazepan-5-one;4-(furan-3-yl)-6-(methylamino)-1,4-oxazepan-5-one;4-(1H-imidazol-5-yl)-6-(methylamino)-1,4-oxazepan-5-one;6-(methylamino)-4-(pyridazin-3-ylmethyl)-1,4-oxazepan-5-one;6-(methylamino)-4-(pyridin-2-ylmethyl)-1,4-oxazepan-5-one;6-(methylamino)-4-(pyridin-3-ylmethyl)-1,4-oxazepan-5-one;6-(methylamino)-4-(pyridin-4-ylmethyl)-1,4-oxazepan-5-one;6-(methylamino)-4-(1H-pyrrol-3-yl)-1,4-oxazepan-5-one;6-(methylamino)-4-(1,3-thiazol-4-yl)-1,4-oxazepan-5-one;6-(methylamino)-4-thiophen-3-yl-1,4-oxazepan-5-one
CID 157092065
1-benzyl-3-(methylamino)azepan-2-one;1-(furan-3-yl)-3-(methylamino)azepan-2-one;1-(1H-imidazol-5-yl)-3-(methylamino)azepan-2-one;3-(methylamino)-1-(pyridazin-3-ylmethyl)azepan-2-one;3-(methylamino)-1-(pyridin-2-ylmethyl)azepan-2-one;3-(methylamino)-1-(pyridin-3-ylmethyl)azepan-2-one;3-(methylamino)-1-(pyridin-4-ylmethyl)azepan-2-one;3-(methylamino)-1-(1H-pyrrol-3-yl)azepan-2-one;3-(methylamino)-1-(1,3-thiazol-4-yl)azepan-2-one;3-(methylamino)-1-thiophen-3-ylazepan-2-one
CID 157102267
3-propan-2-ylfuran;5-propan-2-yl-1H-imidazole;3-propan-2-yl-1,2,4-oxadiazole;5-propan-2-yl-1,2,4-oxadiazole;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;5-propan-2-yl-1H-pyrazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;5-propan-2-ylpyrimidine;4-propan-2-yl-3H-pyrrole;bis(5-propan-2-yl-2H-tetrazole);2-propan-2-yl-1,3,4-thiadiazole;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,2-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;3-propan-2-ylthiophene
CID 157105191
bis(5H-cyclopenta[c]pyridazine);icosakis(2,2-dimethylpropane);furo[2,3-c]pyridazine;bis(furo[3,2-c]pyridazine);bis([1,3]oxazolo[4,5-c]pyridazine);bis([1,3]oxazolo[5,4-c]pyridazine);bis(5H-pyrrolo[2,3-c]pyridazine);bis(7H-pyrrolo[2,3-c]pyridazine);bis([1,3]thiazolo[4,5-c]pyridazine);bis([1,3]thiazolo[5,4-c]pyridazine);thieno[2,3-c]pyridazine;bis(thieno[3,2-c]pyridazine)
CID 157118018
CID 157120267
CID 157120267
CID 157140927
CID 157140927
1-Benzyl-7,7-dimethyl-3-(methylamino)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(pyrazin-2-ylmethyl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(pyridazin-3-ylmethyl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(pyridin-2-ylmethyl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(pyridin-3-ylmethyl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(pyridin-4-ylmethyl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(pyrimidin-4-ylmethyl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(thiophen-3-ylmethyl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(1,3,5-triazin-2-ylmethyl)azepan-2-one;1-(furan-3-ylmethyl)-7,7-dimethyl-3-(methylamino)azepan-2-one
CID 157158870
CID 157176261
CID 157176261
CID 157184171
CID 157184171
6-(furan-2-yl)-8-(methylamino)-5,8-dihydro-4H-[1,3]thiazolo[4,5-d]azepin-7-one;8-(methylamino)-6-(1,3-oxazol-2-yl)-5,8-dihydro-4H-[1,3]thiazolo[4,5-d]azepin-7-one;8-(methylamino)-6-phenyl-5,8-dihydro-4H-[1,3]thiazolo[4,5-d]azepin-7-one;8-(methylamino)-6-pyridazin-3-yl-5,8-dihydro-4H-[1,3]thiazolo[4,5-d]azepin-7-one;8-(methylamino)-6-pyridin-2-yl-5,8-dihydro-4H-[1,3]thiazolo[4,5-d]azepin-7-one;8-(methylamino)-6-pyridin-3-yl-5,8-dihydro-4H-[1,3]thiazolo[4,5-d]azepin-7-one;8-(methylamino)-6-pyridin-4-yl-5,8-dihydro-4H-[1,3]thiazolo[4,5-d]azepin-7-one;8-(methylamino)-6-(1H-pyrrol-2-yl)-5,8-dihydro-4H-[1,3]thiazolo[4,5-d]azepin-7-one;8-(methylamino)-6-(1,3-thiazol-2-yl)-5,8-dihydro-4H-[1,3]thiazolo[4,5-d]azepin-7-one;8-(methylamino)-6-thiophen-2-yl-5,8-dihydro-4H-[1,3]thiazolo[4,5-d]azepin-7-one
CID 157193890
1-Benzyl-5,5-dimethyl-3-(methylamino)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(pyrazin-2-ylmethyl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(pyridazin-3-ylmethyl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(pyridin-2-ylmethyl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(pyridin-3-ylmethyl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(pyridin-4-ylmethyl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(pyrimidin-4-ylmethyl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(thiophen-3-ylmethyl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(1,3,5-triazin-2-ylmethyl)azepan-2-one;1-(furan-3-ylmethyl)-5,5-dimethyl-3-(methylamino)azepan-2-one
CID 157222159

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-methyl-3-(methylamino)azepan-2-one;1-(furan-3-yl)-4-methyl-3-(methylamino)azepan-2-one;1-(1H-imidazol-5-yl)-4-methyl-3-(methylamino)azepan-2-one;4-methyl-3-(methylamino)-1-(pyridazin-3-ylmethyl)azepan-2-one;4-methyl-3-(methylamino)-1-(pyridin-2-ylmethyl)azepan-2-one;4-methyl-3-(methylamino)-1-(pyridin-3-ylmethyl)azepan-2-one;4-methyl-3-(methylamino)-1-(pyridin-4-ylmethyl)azepan-2-one;4-methyl-3-(methylamino)-1-(1H-pyrrol-3-yl)azepan-2-one;4-methyl-3-(methylamino)-1-(1,3-thiazol-4-yl)azepan-2-one;4-methyl-3-(methylamino)-1-thiophen-3-ylazepan-2-one?
The IUPAC name of 1-benzyl-4-methyl-3-(methylamino)azepan-2-one;1-(furan-3-yl)-4-methyl-3-(methylamino)azepan-2-one;1-(1H-imidazol-5-yl)-4-methyl-3-(methylamino)azepan-2-one;4-methyl-3-(methylamino)-1-(pyridazin-3-ylmethyl)azepan-2-one;4-methyl-3-(methylamino)-1-(pyridin-2-ylmethyl)azepan-2-one;4-methyl-3-(methylamino)-1-(pyridin-3-ylmethyl)azepan-2-one;4-methyl-3-(methylamino)-1-(pyridin-4-ylmethyl)azepan-2-one;4-methyl-3-(methylamino)-1-(1H-pyrrol-3-yl)azepan-2-one;4-methyl-3-(methylamino)-1-(1,3-thiazol-4-yl)azepan-2-one;4-methyl-3-(methylamino)-1-thiophen-3-ylazepan-2-one (CID 157428123) is 1-benzyl-4-methyl-3-(methylamino)azepan-2-one;1-(furan-3-yl)-4-methyl-3-(methylamino)azepan-2-one;1-(1H-imidazol-5-yl)-4-methyl-3-(methylamino)azepan-2-one;4-methyl-3-(methylamino)-1-(pyridazin-3-ylmethyl)azepan-2-one;4-methyl-3-(methylamino)-1-(pyridin-2-ylmethyl)azepan-2-one;4-methyl-3-(methylamino)-1-(pyridin-3-ylmethyl)azepan-2-one;4-methyl-3-(methylamino)-1-(pyridin-4-ylmethyl)azepan-2-one;4-methyl-3-(methylamino)-1-(1H-pyrrol-3-yl)azepan-2-one;4-methyl-3-(methylamino)-1-(1,3-thiazol-4-yl)azepan-2-one;4-methyl-3-(methylamino)-1-thiophen-3-ylazepan-2-one.
What is the SMILES notation for 1-benzyl-4-methyl-3-(methylamino)azepan-2-one;1-(furan-3-yl)-4-methyl-3-(methylamino)azepan-2-one;1-(1H-imidazol-5-yl)-4-methyl-3-(methylamino)azepan-2-one;4-methyl-3-(methylamino)-1-(pyridazin-3-ylmethyl)azepan-2-one;4-methyl-3-(methylamino)-1-(pyridin-2-ylmethyl)azepan-2-one;4-methyl-3-(methylamino)-1-(pyridin-3-ylmethyl)azepan-2-one;4-methyl-3-(methylamino)-1-(pyridin-4-ylmethyl)azepan-2-one;4-methyl-3-(methylamino)-1-(1H-pyrrol-3-yl)azepan-2-one;4-methyl-3-(methylamino)-1-(1,3-thiazol-4-yl)azepan-2-one;4-methyl-3-(methylamino)-1-thiophen-3-ylazepan-2-one?
The canonical SMILES for 1-benzyl-4-methyl-3-(methylamino)azepan-2-one;1-(furan-3-yl)-4-methyl-3-(methylamino)azepan-2-one;1-(1H-imidazol-5-yl)-4-methyl-3-(methylamino)azepan-2-one;4-methyl-3-(methylamino)-1-(pyridazin-3-ylmethyl)azepan-2-one;4-methyl-3-(methylamino)-1-(pyridin-2-ylmethyl)azepan-2-one;4-methyl-3-(methylamino)-1-(pyridin-3-ylmethyl)azepan-2-one;4-methyl-3-(methylamino)-1-(pyridin-4-ylmethyl)azepan-2-one;4-methyl-3-(methylamino)-1-(1H-pyrrol-3-yl)azepan-2-one;4-methyl-3-(methylamino)-1-(1,3-thiazol-4-yl)azepan-2-one;4-methyl-3-(methylamino)-1-thiophen-3-ylazepan-2-one is CNC1C(=O)N(Cc2ccccc2)CCCC1C.CNC1C(=O)N(Cc2ccccn2)CCCC1C.CNC1C(=O)N(Cc2cccnc2)CCCC1C.CNC1C(=O)N(Cc2cccnn2)CCCC1C.CNC1C(=O)N(Cc2ccncc2)CCCC1C.CNC1C(=O)N(c2cc[nH]c2)CCCC1C.CNC1C(=O)N(c2ccoc2)CCCC1C.CNC1C(=O)N(c2ccsc2)CCCC1C.CNC1C(=O)N(c2cnc[nH]2)CCCC1C.CNC1C(=O)N(c2cscn2)CCCC1C.
What is the InChIKey of 1-benzyl-4-methyl-3-(methylamino)azepan-2-one;1-(furan-3-yl)-4-methyl-3-(methylamino)azepan-2-one;1-(1H-imidazol-5-yl)-4-methyl-3-(methylamino)azepan-2-one;4-methyl-3-(methylamino)-1-(pyridazin-3-ylmethyl)azepan-2-one;4-methyl-3-(methylamino)-1-(pyridin-2-ylmethyl)azepan-2-one;4-methyl-3-(methylamino)-1-(pyridin-3-ylmethyl)azepan-2-one;4-methyl-3-(methylamino)-1-(pyridin-4-ylmethyl)azepan-2-one;4-methyl-3-(methylamino)-1-(1H-pyrrol-3-yl)azepan-2-one;4-methyl-3-(methylamino)-1-(1,3-thiazol-4-yl)azepan-2-one;4-methyl-3-(methylamino)-1-thiophen-3-ylazepan-2-one?
The InChIKey is BQEXVUNBIRTUTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O.3C14H21N3O.C13H20N4O.C12H19N3O.C12H18N2O2.C12H18N2OS.C11H18N4O.C11H17N3OS/c1-12-7-6-10-17(15(18)14(12)16-2)11-13-8-4-3-5-9-13;1-11-5-4-8-17(14(18)13(11)15-2)10-12-6-3-7-16-9-12;1-11-4-3-9-17(14(18)13(11)15-2)10-12-5-7-16-8-6-12;1-11-6-5-9-17(14(18)13(11)15-2)10-12-7-3-4-8-16-12;1-10-5-4-8-17(13(18)12(10)14-2)9-11-6-3-7-15-16-11;1-9-4-3-7-15(10-5-6-14-8-10)12(16)11(9)13-2;2*1-9-4-3-6-14(10-5-7-16-8-10)12(15)11(9)13-2;1-8-4-3-5-15(9-6-13-7-14-9)11(16)10(8)12-2;1-8-4-3-5-14(9-6-16-7-13-9)11(15)10(8)12-2/h3-5,8-9,12,14,16H,6-7,10-11H2,1-2H3;3,6-7,9,11,13,15H,4-5,8,10H2,1-2H3;5-8,11,13,15H,3-4,9-10H2,1-2H3;3-4,7-8,11,13,15H,5-6,9-10H2,1-2H3;3,6-7,10,12,14H,4-5,8-9H2,1-2H3;5-6,8-9,11,13-14H,3-4,7H2,1-2H3;2*5,7-9,11,13H,3-4,6H2,1-2H3;6-8,10,12H,3-5H2,1-2H3,(H,13,14);6-8,10,12H,3-5H2,1-2H3.
What are the key properties of 1-benzyl-4-methyl-3-(methylamino)azepan-2-one;1-(furan-3-yl)-4-methyl-3-(methylamino)azepan-2-one;1-(1H-imidazol-5-yl)-4-methyl-3-(methylamino)azepan-2-one;4-methyl-3-(methylamino)-1-(pyridazin-3-ylmethyl)azepan-2-one;4-methyl-3-(methylamino)-1-(pyridin-2-ylmethyl)azepan-2-one;4-methyl-3-(methylamino)-1-(pyridin-3-ylmethyl)azepan-2-one;4-methyl-3-(methylamino)-1-(pyridin-4-ylmethyl)azepan-2-one;4-methyl-3-(methylamino)-1-(1H-pyrrol-3-yl)azepan-2-one;4-methyl-3-(methylamino)-1-(1,3-thiazol-4-yl)azepan-2-one;4-methyl-3-(methylamino)-1-thiophen-3-ylazepan-2-one?
1-benzyl-4-methyl-3-(methylamino)azepan-2-one;1-(furan-3-yl)-4-methyl-3-(methylamino)azepan-2-one;1-(1H-imidazol-5-yl)-4-methyl-3-(methylamino)azepan-2-one;4-methyl-3-(methylamino)-1-(pyridazin-3-ylmethyl)azepan-2-one;4-methyl-3-(methylamino)-1-(pyridin-2-ylmethyl)azepan-2-one;4-methyl-3-(methylamino)-1-(pyridin-3-ylmethyl)azepan-2-one;4-methyl-3-(methylamino)-1-(pyridin-4-ylmethyl)azepan-2-one;4-methyl-3-(methylamino)-1-(1H-pyrrol-3-yl)azepan-2-one;4-methyl-3-(methylamino)-1-(1,3-thiazol-4-yl)azepan-2-one;4-methyl-3-(methylamino)-1-thiophen-3-ylazepan-2-one has a molecular weight of 2380.29 g/mol, XLogP of 14.49, 25 rotatable bonds, 12 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-methyl-3-(methylamino)azepan-2-one;1-(furan-3-yl)-4-methyl-3-(methylamino)azepan-2-one;1-(1H-imidazol-5-yl)-4-methyl-3-(methylamino)azepan-2-one;4-methyl-3-(methylamino)-1-(pyridazin-3-ylmethyl)azepan-2-one;4-methyl-3-(methylamino)-1-(pyridin-2-ylmethyl)azepan-2-one;4-methyl-3-(methylamino)-1-(pyridin-3-ylmethyl)azepan-2-one;4-methyl-3-(methylamino)-1-(pyridin-4-ylmethyl)azepan-2-one;4-methyl-3-(methylamino)-1-(1H-pyrrol-3-yl)azepan-2-one;4-methyl-3-(methylamino)-1-(1,3-thiazol-4-yl)azepan-2-one;4-methyl-3-(methylamino)-1-thiophen-3-ylazepan-2-one is sourced from PubChem (CID 157428123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).