1,4-dimethylpiperidine;(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)-(5-propan-2-yl-1H-pyrazol-3-yl)methanone;3-(1-methylpiperidin-4-yl)-1,4-dihydroquinazolin-2-one;1-[(1-methylpiperidin-4-yl)methyl]-3H-indol-2-one;(1S)-1-[(2R)-1-methylpiperidin-2-yl]propan-1-ol;1-methyl-N-[(1R)-1-(3-pyridin-3-ylphenyl)ethyl]pyrrolidine-2-carboxamide;3-(1-methylpyrrolidin-2-yl)pyridine;1'-methylspiro[1H-3,1-benzoxazine-4,4'-piperidine]-2-one

C102H150N18O7 — CID 158111513

IUPAC1,4-dimethylpiperidine;(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)-(5-propan-2-yl-1H-pyrazol-3-yl)methanone;3-(1-methylpiperidin-4-yl)-1,4-dihydroquinazolin-2-one;1-[(1-methylpiperidin-4-yl)methyl]-3H-indol-2-one;(1S)-1-[(2R)-1-methylpiperidin-2-yl]propan-1-ol;1-methyl-N-[(1R)-1-(3-pyridin-3-ylphenyl)ethyl]pyrrolidine-2-carboxamide;3-(1-methylpyrrolidin-2-yl)pyridine;1'-methylspiro[1H-3,1-benzoxazine-4,4'-piperidine]-2-one
SMILESCC(C)c1cc(C(=O)N2CC3(CCN(C)CC3)C2)n[nH]1.CC1CCN(C)CC1.CC[C@H](O)[C@H]1CCCCN1C.CN1CCC(CN2C(=O)Cc3ccccc32)CC1.CN1CCC(N2Cc3ccccc3NC2=O)CC1.CN1CCC2(CC1)OC(=O)Nc1ccccc12.CN1CCCC1c1cccnc1.C[C@@H](NC(=O)C1CCCN1C)c1cccc(-c2cccnc2)c1
InChIInChI=1S/C19H23N3O.C15H24N4O.C15H20N2O.C14H19N3O.C13H16N2O2.C10H14N2.C9H19NO.C7H15N/c1-14(21-19(23)18-9-5-11-22(18)2)15-6-3-7-16(12-15)17-8-4-10-20-13-17;1-11(2)12-8-13(17-16-12)14(20)19-9-15(10-19)4-6-18(3)7-5-15;1-16-8-6-12(7-9-16)11-17-14-5-3-2-4-13(14)10-15(17)18;1-16-8-6-12(7-9-16)17-10-11-4-2-3-5-13(11)15-14(17)18;1-15-8-6-13(7-9-15)10-4-2-3-5-11(10)14-12(16)17-13;1-12-7-3-5-10(12)9-4-2-6-11-8-9;1-3-9(11)8-6-4-5-7-10(8)2;1-7-3-5-8(2)6-4-7/h3-4,6-8,10,12-14,18H,5,9,11H2,1-2H3,(H,21,23);8,11H,4-7,9-10H2,1-3H3,(H,16,17);2-5,12H,6-11H2,1H3;2-5,12H,6-10H2,1H3,(H,15,18);2-5H,6-9H2,1H3,(H,14,16);2,4,6,8,10H,3,5,7H2,1H3;8-9,11H,3-7H2,1-2H3;7H,3-6H2,1-2H3/t14-,18?;;;;;;8-,9+;/m1.....1./s1
InChIKeyFQMMIKQKBQSWSV-YLYGPQHNSA-N
MW1740.44 g/mol
LogP15.37
Rot. Bonds12

About 1,4-dimethylpiperidine;(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)-(5-propan-2-yl-1H-pyrazol-3-yl)methanone;3-(1-methylpiperidin-4-yl)-1,4-dihydroquinazolin-2-one;1-[(1-methylpiperidin-4-yl)methyl]-3H-indol-2-one;(1S)-1-[(2R)-1-methylpiperidin-2-yl]propan-1-ol;1-methyl-N-[(1R)-1-(3-pyridin-3-ylphenyl)ethyl]pyrrolidine-2-carboxamide;3-(1-methylpyrrolidin-2-yl)pyridine;1'-methylspiro[1H-3,1-benzoxazine-4,4'-piperidine]-2-one

1,4-dimethylpiperidine;(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)-(5-propan-2-yl-1H-pyrazol-3-yl)methanone;3-(1-methylpiperidin-4-yl)-1,4-dihydroquinazolin-2-one;1-[(1-methylpiperidin-4-yl)methyl]-3H-indol-2-one;(1S)-1-[(2R)-1-methylpiperidin-2-yl]propan-1-ol;1-methyl-N-[(1R)-1-(3-pyridin-3-ylphenyl)ethyl]pyrrolidine-2-carboxamide;3-(1-methylpyrrolidin-2-yl)pyridine;1'-methylspiro[1H-3,1-benzoxazine-4,4'-piperidine]-2-one (PubChem CID 158111513) has the molecular formula C102H150N18O7 and a molecular weight of 1740.44 g/mol. Its IUPAC name is 1,4-dimethylpiperidine;(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)-(5-propan-2-yl-1H-pyrazol-3-yl)methanone;3-(1-methylpiperidin-4-yl)-1,4-dihydroquinazolin-2-one;1-[(1-methylpiperidin-4-yl)methyl]-3H-indol-2-one;(1S)-1-[(2R)-1-methylpiperidin-2-yl]propan-1-ol;1-methyl-N-[(1R)-1-(3-pyridin-3-ylphenyl)ethyl]pyrrolidine-2-carboxamide;3-(1-methylpyrrolidin-2-yl)pyridine;1'-methylspiro[1H-3,1-benzoxazine-4,4'-piperidine]-2-one.

Molecular Properties

Compound Name1,4-dimethylpiperidine;(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)-(5-propan-2-yl-1H-pyrazol-3-yl)methanone;3-(1-methylpiperidin-4-yl)-1,4-dihydroquinazolin-2-one;1-[(1-methylpiperidin-4-yl)methyl]-3H-indol-2-one;(1S)-1-[(2R)-1-methylpiperidin-2-yl]propan-1-ol;1-methyl-N-[(1R)-1-(3-pyridin-3-ylphenyl)ethyl]pyrrolidine-2-carboxamide;3-(1-methylpyrrolidin-2-yl)pyridine;1'-methylspiro[1H-3,1-benzoxazine-4,4'-piperidine]-2-one
PubChem CID158111513
Molecular FormulaC102H150N18O7
Molecular Weight1740.44 g/mol
Exact Mass1739.19
IUPAC Name1,4-dimethylpiperidine;(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)-(5-propan-2-yl-1H-pyrazol-3-yl)methanone;3-(1-methylpiperidin-4-yl)-1,4-dihydroquinazolin-2-one;1-[(1-methylpiperidin-4-yl)methyl]-3H-indol-2-one;(1S)-1-[(2R)-1-methylpiperidin-2-yl]propan-1-ol;1-methyl-N-[(1R)-1-(3-pyridin-3-ylphenyl)ethyl]pyrrolidine-2-carboxamide;3-(1-methylpyrrolidin-2-yl)pyridine;1'-methylspiro[1H-3,1-benzoxazine-4,4'-piperidine]-2-one
SMILESCC(C)c1cc(C(=O)N2CC3(CCN(C)CC3)C2)n[nH]1.CC1CCN(C)CC1.CC[C@H](O)[C@H]1CCCCN1C.CN1CCC(CN2C(=O)Cc3ccccc32)CC1.CN1CCC(N2Cc3ccccc3NC2=O)CC1.CN1CCC2(CC1)OC(=O)Nc1ccccc12.CN1CCCC1c1cccnc1.C[C@@H](NC(=O)C1CCCN1C)c1cccc(-c2cccnc2)c1
InChIInChI=1S/C19H23N3O.C15H24N4O.C15H20N2O.C14H19N3O.C13H16N2O2.C10H14N2.C9H19NO.C7H15N/c1-14(21-19(23)18-9-5-11-22(18)2)15-6-3-7-16(12-15)17-8-4-10-20-13-17;1-11(2)12-8-13(17-16-12)14(20)19-9-15(10-19)4-6-18(3)7-5-15;1-16-8-6-12(7-9-16)11-17-14-5-3-2-4-13(14)10-15(17)18;1-16-8-6-12(7-9-16)17-10-11-4-2-3-5-13(11)15-14(17)18;1-15-8-6-13(7-9-15)10-4-2-3-5-11(10)14-12(16)17-13;1-12-7-3-5-10(12)9-4-2-6-11-8-9;1-3-9(11)8-6-4-5-7-10(8)2;1-7-3-5-8(2)6-4-7/h3-4,6-8,10,12-14,18H,5,9,11H2,1-2H3,(H,21,23);8,11H,4-7,9-10H2,1-3H3,(H,16,17);2-5,12H,6-11H2,1H3;2-5,12H,6-10H2,1H3,(H,15,18);2-5H,6-9H2,1H3,(H,14,16);2,4,6,8,10H,3,5,7H2,1H3;8-9,11H,3-7H2,1-2H3;7H,3-6H2,1-2H3/t14-,18?;;;;;;8-,9+;/m1.....1./s1
InChIKeyFQMMIKQKBQSWSV-YLYGPQHNSA-N
XLogP15.37
TPSA241.00 Ų
H-Bond Donors5
H-Bond Acceptors18
Rotatable Bonds12
Heavy Atoms127
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001740.44
LogP ≤ 515.37
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1018

Analyze 1,4-dimethylpiperidine;(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)-(5-propan-2-yl-1H-pyrazol-3-yl)methanone;3-(1-methylpiperidin-4-yl)-1,4-dihydroquinazolin-2-one;1-[(1-methylpiperidin-4-yl)methyl]-3H-indol-2-one;(1S)-1-[(2R)-1-methylpiperidin-2-yl]propan-1-ol;1-methyl-N-[(1R)-1-(3-pyridin-3-ylphenyl)ethyl]pyrrolidine-2-carboxamide;3-(1-methylpyrrolidin-2-yl)pyridine;1'-methylspiro[1H-3,1-benzoxazine-4,4'-piperidine]-2-one with MolForge

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Related Compounds

benzyl N-[(2R)-1-(2,8-diazaspiro[4.5]decan-8-yl)-1-oxopropan-2-yl]-N-methylcarbamate;methane;N-[(2R)-1-[8-[(2R)-2-(methylamino)propanoyl]-2,8-diazaspiro[4.5]decan-2-yl]-3-(7-methyl-1H-indazol-5-yl)-1-oxopropan-2-yl]-2-oxospiro[1H-pyrido[2,3-d][1,3]oxazine-4,4'-piperidine]-1'-carboxamide;(2R)-3-(7-methyl-1H-indazol-5-yl)-2-[(2-oxospiro[1H-pyrido[2,3-d][1,3]oxazine-4,4'-piperidine]-1'-carbonyl)amino]propanoic acid;hydrochloride
CID 158314929
[3-(7-methyl-1H-indazol-5-yl)-1-oxo-1-(4-pyridin-2-ylpiperidin-1-yl)propan-2-yl] 4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxylate;[3-(7-methyl-1H-indazol-5-yl)-1-oxo-1-(4-pyridin-2-ylpiperidin-1-yl)propan-2-yl] 2-oxospiro[1H-3,1-benzoxazine-4,4'-piperidine]-1'-carboxylate
CID 159750551
benzyl 5-[8-[(2R)-2-amino-3-methylbutanoyl]-3-methyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-1-yl]indazole-1-carboxylate;benzyl 5-(3-methyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-1-yl)indazole-1-carboxylate;benzyl 5-[3-methyl-8-[(2R)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-1-yl]indazole-1-carboxylate;benzyl 5-[3-methyl-8-[(2R)-3-methyl-2-(pyridine-2-carbonylamino)butanoyl]-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-1-yl]indazole-1-carboxylate;N-[(2R)-1-[1-(1H-indazol-5-yl)-3-methyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl]-3-methyl-1-oxobutan-2-yl]pyridine-2-carboxamide;methane;(2R)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid;pyridine-2-carboxylic acid;dihydrochloride
CID 159954215
benzyl N-[(2R)-1-(2,8-diazaspiro[4.5]decan-8-yl)-1-oxopropan-2-yl]-N-methylcarbamate;N-[(2R)-1-[8-[(2R)-2-(methylamino)propanoyl]-2,8-diazaspiro[4.5]decan-2-yl]-3-(7-methyl-1H-indazol-5-yl)-1-oxopropan-2-yl]-2-oxospiro[1H-pyrido[2,3-d][1,3]oxazine-4,4'-piperidine]-1'-carboxamide;(2R)-3-(7-methyl-1H-indazol-5-yl)-2-[(2-oxospiro[1H-pyrido[2,3-d][1,3]oxazine-4,4'-piperidine]-1'-carbonyl)amino]propanoic acid;hydrochloride
CID 161685796
benzyl 5-[8-[(2R)-2-amino-3-methylbutanoyl]-3-methyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-1-yl]indazole-1-carboxylate;benzyl 5-(3-methyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-1-yl)indazole-1-carboxylate;benzyl 5-[3-methyl-8-[(2R)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-1-yl]indazole-1-carboxylate;benzyl 5-[3-methyl-8-[(2R)-3-methyl-2-(pyridine-2-carbonylamino)butanoyl]-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-1-yl]indazole-1-carboxylate;N-[(2R)-1-[1-(1H-indazol-5-yl)-3-methyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl]-3-methyl-1-oxobutan-2-yl]pyridine-2-carboxamide;(2R)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid;pyridine-2-carboxylic acid;dihydrochloride
CID 161839309

Frequently Asked Questions

What is the IUPAC name of 1,4-dimethylpiperidine;(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)-(5-propan-2-yl-1H-pyrazol-3-yl)methanone;3-(1-methylpiperidin-4-yl)-1,4-dihydroquinazolin-2-one;1-[(1-methylpiperidin-4-yl)methyl]-3H-indol-2-one;(1S)-1-[(2R)-1-methylpiperidin-2-yl]propan-1-ol;1-methyl-N-[(1R)-1-(3-pyridin-3-ylphenyl)ethyl]pyrrolidine-2-carboxamide;3-(1-methylpyrrolidin-2-yl)pyridine;1'-methylspiro[1H-3,1-benzoxazine-4,4'-piperidine]-2-one?
The IUPAC name of 1,4-dimethylpiperidine;(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)-(5-propan-2-yl-1H-pyrazol-3-yl)methanone;3-(1-methylpiperidin-4-yl)-1,4-dihydroquinazolin-2-one;1-[(1-methylpiperidin-4-yl)methyl]-3H-indol-2-one;(1S)-1-[(2R)-1-methylpiperidin-2-yl]propan-1-ol;1-methyl-N-[(1R)-1-(3-pyridin-3-ylphenyl)ethyl]pyrrolidine-2-carboxamide;3-(1-methylpyrrolidin-2-yl)pyridine;1'-methylspiro[1H-3,1-benzoxazine-4,4'-piperidine]-2-one (CID 158111513) is 1,4-dimethylpiperidine;(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)-(5-propan-2-yl-1H-pyrazol-3-yl)methanone;3-(1-methylpiperidin-4-yl)-1,4-dihydroquinazolin-2-one;1-[(1-methylpiperidin-4-yl)methyl]-3H-indol-2-one;(1S)-1-[(2R)-1-methylpiperidin-2-yl]propan-1-ol;1-methyl-N-[(1R)-1-(3-pyridin-3-ylphenyl)ethyl]pyrrolidine-2-carboxamide;3-(1-methylpyrrolidin-2-yl)pyridine;1'-methylspiro[1H-3,1-benzoxazine-4,4'-piperidine]-2-one.
What is the SMILES notation for 1,4-dimethylpiperidine;(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)-(5-propan-2-yl-1H-pyrazol-3-yl)methanone;3-(1-methylpiperidin-4-yl)-1,4-dihydroquinazolin-2-one;1-[(1-methylpiperidin-4-yl)methyl]-3H-indol-2-one;(1S)-1-[(2R)-1-methylpiperidin-2-yl]propan-1-ol;1-methyl-N-[(1R)-1-(3-pyridin-3-ylphenyl)ethyl]pyrrolidine-2-carboxamide;3-(1-methylpyrrolidin-2-yl)pyridine;1'-methylspiro[1H-3,1-benzoxazine-4,4'-piperidine]-2-one?
The canonical SMILES for 1,4-dimethylpiperidine;(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)-(5-propan-2-yl-1H-pyrazol-3-yl)methanone;3-(1-methylpiperidin-4-yl)-1,4-dihydroquinazolin-2-one;1-[(1-methylpiperidin-4-yl)methyl]-3H-indol-2-one;(1S)-1-[(2R)-1-methylpiperidin-2-yl]propan-1-ol;1-methyl-N-[(1R)-1-(3-pyridin-3-ylphenyl)ethyl]pyrrolidine-2-carboxamide;3-(1-methylpyrrolidin-2-yl)pyridine;1'-methylspiro[1H-3,1-benzoxazine-4,4'-piperidine]-2-one is CC(C)c1cc(C(=O)N2CC3(CCN(C)CC3)C2)n[nH]1.CC1CCN(C)CC1.CC[C@H](O)[C@H]1CCCCN1C.CN1CCC(CN2C(=O)Cc3ccccc32)CC1.CN1CCC(N2Cc3ccccc3NC2=O)CC1.CN1CCC2(CC1)OC(=O)Nc1ccccc12.CN1CCCC1c1cccnc1.C[C@@H](NC(=O)C1CCCN1C)c1cccc(-c2cccnc2)c1.
What is the InChIKey of 1,4-dimethylpiperidine;(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)-(5-propan-2-yl-1H-pyrazol-3-yl)methanone;3-(1-methylpiperidin-4-yl)-1,4-dihydroquinazolin-2-one;1-[(1-methylpiperidin-4-yl)methyl]-3H-indol-2-one;(1S)-1-[(2R)-1-methylpiperidin-2-yl]propan-1-ol;1-methyl-N-[(1R)-1-(3-pyridin-3-ylphenyl)ethyl]pyrrolidine-2-carboxamide;3-(1-methylpyrrolidin-2-yl)pyridine;1'-methylspiro[1H-3,1-benzoxazine-4,4'-piperidine]-2-one?
The InChIKey is FQMMIKQKBQSWSV-YLYGPQHNSA-N. The full InChI is InChI=1S/C19H23N3O.C15H24N4O.C15H20N2O.C14H19N3O.C13H16N2O2.C10H14N2.C9H19NO.C7H15N/c1-14(21-19(23)18-9-5-11-22(18)2)15-6-3-7-16(12-15)17-8-4-10-20-13-17;1-11(2)12-8-13(17-16-12)14(20)19-9-15(10-19)4-6-18(3)7-5-15;1-16-8-6-12(7-9-16)11-17-14-5-3-2-4-13(14)10-15(17)18;1-16-8-6-12(7-9-16)17-10-11-4-2-3-5-13(11)15-14(17)18;1-15-8-6-13(7-9-15)10-4-2-3-5-11(10)14-12(16)17-13;1-12-7-3-5-10(12)9-4-2-6-11-8-9;1-3-9(11)8-6-4-5-7-10(8)2;1-7-3-5-8(2)6-4-7/h3-4,6-8,10,12-14,18H,5,9,11H2,1-2H3,(H,21,23);8,11H,4-7,9-10H2,1-3H3,(H,16,17);2-5,12H,6-11H2,1H3;2-5,12H,6-10H2,1H3,(H,15,18);2-5H,6-9H2,1H3,(H,14,16);2,4,6,8,10H,3,5,7H2,1H3;8-9,11H,3-7H2,1-2H3;7H,3-6H2,1-2H3/t14-,18?;;;;;;8-,9+;/m1.....1./s1.
What are the key properties of 1,4-dimethylpiperidine;(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)-(5-propan-2-yl-1H-pyrazol-3-yl)methanone;3-(1-methylpiperidin-4-yl)-1,4-dihydroquinazolin-2-one;1-[(1-methylpiperidin-4-yl)methyl]-3H-indol-2-one;(1S)-1-[(2R)-1-methylpiperidin-2-yl]propan-1-ol;1-methyl-N-[(1R)-1-(3-pyridin-3-ylphenyl)ethyl]pyrrolidine-2-carboxamide;3-(1-methylpyrrolidin-2-yl)pyridine;1'-methylspiro[1H-3,1-benzoxazine-4,4'-piperidine]-2-one?
1,4-dimethylpiperidine;(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)-(5-propan-2-yl-1H-pyrazol-3-yl)methanone;3-(1-methylpiperidin-4-yl)-1,4-dihydroquinazolin-2-one;1-[(1-methylpiperidin-4-yl)methyl]-3H-indol-2-one;(1S)-1-[(2R)-1-methylpiperidin-2-yl]propan-1-ol;1-methyl-N-[(1R)-1-(3-pyridin-3-ylphenyl)ethyl]pyrrolidine-2-carboxamide;3-(1-methylpyrrolidin-2-yl)pyridine;1'-methylspiro[1H-3,1-benzoxazine-4,4'-piperidine]-2-one has a molecular weight of 1740.44 g/mol, XLogP of 15.37, 12 rotatable bonds, 5 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethylpiperidine;(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)-(5-propan-2-yl-1H-pyrazol-3-yl)methanone;3-(1-methylpiperidin-4-yl)-1,4-dihydroquinazolin-2-one;1-[(1-methylpiperidin-4-yl)methyl]-3H-indol-2-one;(1S)-1-[(2R)-1-methylpiperidin-2-yl]propan-1-ol;1-methyl-N-[(1R)-1-(3-pyridin-3-ylphenyl)ethyl]pyrrolidine-2-carboxamide;3-(1-methylpyrrolidin-2-yl)pyridine;1'-methylspiro[1H-3,1-benzoxazine-4,4'-piperidine]-2-one is sourced from PubChem (CID 158111513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).