N,N-dimethyl-2-[(2S)-2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]acetamide;methyl 2-[(2S)-2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]acetate;1-methyl-4-[(2S)-1-phenylpyrrolidin-2-yl]piperidine;2-[(2S)-2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]pyridine;4-[(2S)-2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]pyridine;2-[(2S)-2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]pyrimidine;2-[(2S)-2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]-1,3-thiazole

C100H164N20O3S — CID 158788915

IUPACN,N-dimethyl-2-[(2S)-2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]acetamide;methyl 2-[(2S)-2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]acetate;1-methyl-4-[(2S)-1-phenylpyrrolidin-2-yl]piperidine;2-[(2S)-2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]pyridine;4-[(2S)-2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]pyridine;2-[(2S)-2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]pyrimidine;2-[(2S)-2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]-1,3-thiazole
SMILESCN1CCC([C@@H]2CCCN2CC(=O)N(C)C)CC1.CN1CCC([C@@H]2CCCN2c2ccccc2)CC1.CN1CCC([C@@H]2CCCN2c2ccccn2)CC1.CN1CCC([C@@H]2CCCN2c2ccncc2)CC1.CN1CCC([C@@H]2CCCN2c2ncccn2)CC1.CN1CCC([C@@H]2CCCN2c2nccs2)CC1.COC(=O)CN1CCC[C@H]1C1CCN(C)CC1
InChIInChI=1S/C16H24N2.2C15H23N3.C14H22N4.C14H27N3O.C13H21N3S.C13H24N2O2/c1-17-12-9-14(10-13-17)16-8-5-11-18(16)15-6-3-2-4-7-15;1-17-11-6-13(7-12-17)15-3-2-10-18(15)14-4-8-16-9-5-14;1-17-11-7-13(8-12-17)14-5-4-10-18(14)15-6-2-3-9-16-15;1-17-10-5-12(6-11-17)13-4-2-9-18(13)14-15-7-3-8-16-14;1-15(2)14(18)11-17-8-4-5-13(17)12-6-9-16(3)10-7-12;1-15-8-4-11(5-9-15)12-3-2-7-16(12)13-14-6-10-17-13;1-14-8-5-11(6-9-14)12-4-3-7-15(12)10-13(16)17-2/h2-4,6-7,14,16H,5,8-13H2,1H3;4-5,8-9,13,15H,2-3,6-7,10-12H2,1H3;2-3,6,9,13-14H,4-5,7-8,10-12H2,1H3;3,7-8,12-13H,2,4-6,9-11H2,1H3;12-13H,4-11H2,1-3H3;6,10-12H,2-5,7-9H2,1H3;11-12H,3-10H2,1-2H3/t16-;15-;14-;2*13-;2*12-/m0000000/s1
InChIKeyISAJFSIBHYEFBU-JAACCTTDSA-N
MW1726.62 g/mol
LogP13.87
Rot. Bonds16

About N,N-dimethyl-2-[(2S)-2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]acetamide;methyl 2-[(2S)-2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]acetate;1-methyl-4-[(2S)-1-phenylpyrrolidin-2-yl]piperidine;2-[(2S)-2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]pyridine;4-[(2S)-2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]pyridine;2-[(2S)-2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]pyrimidine;2-[(2S)-2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]-1,3-thiazole

N,N-dimethyl-2-[(2S)-2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]acetamide;methyl 2-[(2S)-2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]acetate;1-methyl-4-[(2S)-1-phenylpyrrolidin-2-yl]piperidine;2-[(2S)-2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]pyridine;4-[(2S)-2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]pyridine;2-[(2S)-2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]pyrimidine;2-[(2S)-2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]-1,3-thiazole (PubChem CID 158788915) has the molecular formula C100H164N20O3S and a molecular weight of 1726.62 g/mol. Its IUPAC name is N,N-dimethyl-2-[(2S)-2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]acetamide;methyl 2-[(2S)-2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]acetate;1-methyl-4-[(2S)-1-phenylpyrrolidin-2-yl]piperidine;2-[(2S)-2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]pyridine;4-[(2S)-2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]pyridine;2-[(2S)-2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]pyrimidine;2-[(2S)-2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]-1,3-thiazole.

Molecular Properties

Compound NameN,N-dimethyl-2-[(2S)-2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]acetamide;methyl 2-[(2S)-2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]acetate;1-methyl-4-[(2S)-1-phenylpyrrolidin-2-yl]piperidine;2-[(2S)-2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]pyridine;4-[(2S)-2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]pyridine;2-[(2S)-2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]pyrimidine;2-[(2S)-2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]-1,3-thiazole
PubChem CID158788915
Molecular FormulaC100H164N20O3S
Molecular Weight1726.62 g/mol
Exact Mass1725.30
IUPAC NameN,N-dimethyl-2-[(2S)-2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]acetamide;methyl 2-[(2S)-2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]acetate;1-methyl-4-[(2S)-1-phenylpyrrolidin-2-yl]piperidine;2-[(2S)-2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]pyridine;4-[(2S)-2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]pyridine;2-[(2S)-2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]pyrimidine;2-[(2S)-2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]-1,3-thiazole
SMILESCN1CCC([C@@H]2CCCN2CC(=O)N(C)C)CC1.CN1CCC([C@@H]2CCCN2c2ccccc2)CC1.CN1CCC([C@@H]2CCCN2c2ccccn2)CC1.CN1CCC([C@@H]2CCCN2c2ccncc2)CC1.CN1CCC([C@@H]2CCCN2c2ncccn2)CC1.CN1CCC([C@@H]2CCCN2c2nccs2)CC1.COC(=O)CN1CCC[C@H]1C1CCN(C)CC1
InChIInChI=1S/C16H24N2.2C15H23N3.C14H22N4.C14H27N3O.C13H21N3S.C13H24N2O2/c1-17-12-9-14(10-13-17)16-8-5-11-18(16)15-6-3-2-4-7-15;1-17-11-6-13(7-12-17)15-3-2-10-18(15)14-4-8-16-9-5-14;1-17-11-7-13(8-12-17)14-5-4-10-18(14)15-6-2-3-9-16-15;1-17-10-5-12(6-11-17)13-4-2-9-18(13)14-15-7-3-8-16-14;1-15(2)14(18)11-17-8-4-5-13(17)12-6-9-16(3)10-7-12;1-15-8-4-11(5-9-15)12-3-2-7-16(12)13-14-6-10-17-13;1-14-8-5-11(6-9-14)12-4-3-7-15(12)10-13(16)17-2/h2-4,6-7,14,16H,5,8-13H2,1H3;4-5,8-9,13,15H,2-3,6-7,10-12H2,1H3;2-3,6,9,13-14H,4-5,7-8,10-12H2,1H3;3,7-8,12-13H,2,4-6,9-11H2,1H3;12-13H,4-11H2,1-3H3;6,10-12H,2-5,7-9H2,1H3;11-12H,3-10H2,1-2H3/t16-;15-;14-;2*13-;2*12-/m0000000/s1
InChIKeyISAJFSIBHYEFBU-JAACCTTDSA-N
XLogP13.87
TPSA156.42 Ų
H-Bond Donors
H-Bond Acceptors23
Rotatable Bonds16
Heavy Atoms124
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001726.62
LogP ≤ 513.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1023

Analyze N,N-dimethyl-2-[(2S)-2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]acetamide;methyl 2-[(2S)-2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]acetate;1-methyl-4-[(2S)-1-phenylpyrrolidin-2-yl]piperidine;2-[(2S)-2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]pyridine;4-[(2S)-2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]pyridine;2-[(2S)-2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]pyrimidine;2-[(2S)-2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]-1,3-thiazole with MolForge

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Related Compounds

N,N-dimethyl-2-[(2S)-2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]acetamide;4-[(2S)-1-(2-methoxyethyl)pyrrolidin-2-yl]-1-methylpiperidine;methyl 2-[(2S)-2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]acetate;1-methyl-4-[(2S)-1-phenylpyrrolidin-2-yl]piperidine;2-[(2S)-2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]pyridine;4-[(2S)-2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]pyridine;1-methyl-4-[(2S)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-yl]piperidine;1-methyl-4-[(2S)-1-(3,3,3-trifluoropropyl)pyrrolidin-2-yl]piperidine
CID 160254473
8-tert-butyl-8-azaspiro[4.5]decane;3-tert-butyl-3-azaspiro[5.5]undecane;4-tert-butyl-N,N-dimethylpiperazine-1-carboxamide;bis(1-tert-butyl-4-phenylpiperazine);2-(4-tert-butylpiperazin-1-yl)pyrazine;2-(4-tert-butylpiperazin-1-yl)pyrimidine;2-(4-tert-butylpiperazin-1-yl)-1,3-thiazole;1-tert-butyl-4-pyridin-2-ylpiperazine;1-tert-butyl-4-pyridin-3-ylpiperazine;ethyl 2-(4-tert-butylpiperazin-1-yl)acetate
CID 157615900
1-tert-butyl-4-(2-imidazol-1-ylethyl)piperazine;1-tert-butyl-4-(1-methylpiperidin-4-yl)piperazine;4-tert-butylmorpholine;4-tert-butylpiperazin-2-one;2-(4-tert-butylpiperazin-1-yl)-N,N-dimethylethanamine;4-[2-(4-tert-butylpiperazin-1-yl)ethyl]morpholine;2-(4-tert-butylpiperazin-1-yl)-1,3-thiazole;1-tert-butyl-4-(pyridin-3-ylmethyl)piperazine;1-tert-butyl-4-pyridin-2-ylpiperazine;1-tert-butyl-4-pyridin-3-ylpiperazine;1-tert-butyl-4-pyridin-4-ylpiperazine;1-tert-butyl-4-(2-pyrrolidin-1-ylethyl)piperazine;N,N,2-trimethylpropan-2-amine
CID 158223301
N,N-dimethyl-2-[(2S)-2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]acetamide;1-methyl-4-[(2S)-1-phenylpyrrolidin-2-yl]piperidine;2-[(2S)-2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]pyridine;4-[(2S)-2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]pyridine;2-[(2S)-2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]pyrimidine;2-[(2S)-2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]-1,3,4-thiadiazole;2-[(2S)-2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]-1,3-thiazole
CID 158363142
1-tert-butyl-4-(2-imidazol-1-ylethyl)piperazine;2-(4-tert-butylpiperazin-1-yl)acetamide;2-(4-tert-butylpiperazin-1-yl)-N,N-dimethylethanamine;4-[2-(4-tert-butylpiperazin-1-yl)ethyl]morpholine;2-(4-tert-butylpiperazin-1-yl)pyrazine;2-(4-tert-butylpiperazin-1-yl)-1,3-thiazole;1-tert-butyl-4-pyridin-2-ylpiperazine;1-tert-butyl-4-pyridin-3-ylpiperazine;1-tert-butyl-4-pyridin-4-ylpiperazine;1-tert-butyl-4-(2-pyrrolidin-1-ylethyl)piperazine
CID 159424819
1-Tert-butyl-4-(2-imidazol-1-ylethyl)piperazine;2-(4-tert-butylpiperazin-1-yl)acetamide;4-[2-(4-tert-butylpiperazin-1-yl)ethyl]morpholine;2-(4-tert-butylpiperazin-1-yl)pyrazine;2-(4-tert-butylpiperazin-1-yl)-1,3-thiazole;1-tert-butyl-4-(2-pyridin-4-ylethyl)piperazine;1-tert-butyl-4-pyridin-2-ylpiperazine;1-tert-butyl-4-pyridin-3-ylpiperazine;1-tert-butyl-4-pyridin-4-ylpiperazine;1-tert-butyl-4-(2-pyrrolidin-1-ylethyl)piperazine
CID 159529731
N-[5-[(1R)-1-[3-(2,6-dimethyl-4-pyridinyl)-2-oxo-1,3,8-triazaspiro[4.5]decan-8-yl]ethyl]-1,3-thiazol-2-yl]acetamide;N-[5-[(1S)-1-[3-(2,6-dimethyl-4-pyridinyl)-2-oxo-1,3,8-triazaspiro[4.5]decan-8-yl]ethyl]-1,3-thiazol-2-yl]acetamide;N-[5-[(1R)-1-[3-(2,6-dimethylpyrimidin-4-yl)-2-oxo-1,3,8-triazaspiro[4.5]decan-8-yl]ethyl]-1,3-thiazol-2-yl]acetamide;N-[5-[(1S)-1-[3-(2,6-dimethylpyrimidin-4-yl)-2-oxo-1,3,8-triazaspiro[4.5]decan-8-yl]ethyl]-1,3-thiazol-2-yl]acetamide
CID 159967691
4-[(2S)-1-benzylpyrrolidin-2-yl]-1-methylpiperidine;2-methyl-5-[(2S)-2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]-1,3,4-oxadiazole;1-methyl-4-[(2S)-1-phenylpyrrolidin-2-yl]piperidine;2-[(2S)-2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]pyridine;4-[(2S)-2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]pyridine;2-[(2S)-2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]pyrimidine;2-[(2S)-2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]-1,3,4-thiadiazole;2-[(2S)-2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]-1,3-thiazole
CID 160577856
4-tert-butyl-N,N-dimethylpiperazine-1-carboxamide;8-tert-butyl-2-oxa-8-azaspiro[4.5]decane;9-tert-butyl-3-oxa-9-azaspiro[5.5]undecane;1-tert-butyl-4-phenylpiperazine;2-(4-tert-butylpiperazin-1-yl)pyrazine;2-(4-tert-butylpiperazin-1-yl)pyrimidine;2-(4-tert-butylpiperazin-1-yl)-1,3-thiazole;1-tert-butyl-4-pyridin-2-ylpiperazine;1-tert-butyl-4-pyridin-3-ylpiperazine;1-tert-butyl-4-pyridin-4-ylpiperazine;ethyl 2-(4-tert-butylpiperazin-1-yl)acetate
CID 161134367
1-Tert-butyl-4-(2-imidazol-1-ylethyl)piperazine;2-(4-tert-butylpiperazin-1-yl)acetamide;4-[2-(4-tert-butylpiperazin-1-yl)ethyl]morpholine;2-(4-tert-butylpiperazin-1-yl)pyrazine;2-(4-tert-butylpiperazin-1-yl)-1,3-thiazole;1-tert-butyl-4-propylpiperazine;1-tert-butyl-4-(2-pyridin-4-ylethyl)piperazine;1-tert-butyl-4-(pyridin-3-ylmethyl)piperazine;1-tert-butyl-4-(pyridin-4-ylmethyl)piperazine;1-tert-butyl-4-pyridin-2-ylpiperazine;1-tert-butyl-4-pyridin-3-ylpiperazine;1-tert-butyl-4-pyridin-4-ylpiperazine
CID 161588380
2-methyl-5-[(2S)-2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]-1,3,4-oxadiazole;1-methyl-4-[(2S)-1-phenylpyrrolidin-2-yl]piperidine;2-[(2S)-2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]pyridine;4-[(2S)-2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]pyridine;2-[(2S)-2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]pyrimidine;2-[(2S)-2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]-1,3,4-thiadiazole;2-[(2S)-2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]-1,3-thiazole
CID 161936907
N,N-dimethyl-2-[(2S)-2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]acetamide;methyl 2-[(2S)-2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]acetate;1-methyl-4-[(2S)-1-phenylpyrrolidin-2-yl]piperidine;2-[(2S)-2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]pyridine;4-[(2S)-2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]pyridine;2-[(2S)-2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]pyrimidine
CID 162225987

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[(2S)-2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]acetamide;methyl 2-[(2S)-2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]acetate;1-methyl-4-[(2S)-1-phenylpyrrolidin-2-yl]piperidine;2-[(2S)-2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]pyridine;4-[(2S)-2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]pyridine;2-[(2S)-2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]pyrimidine;2-[(2S)-2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]-1,3-thiazole?
The IUPAC name of N,N-dimethyl-2-[(2S)-2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]acetamide;methyl 2-[(2S)-2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]acetate;1-methyl-4-[(2S)-1-phenylpyrrolidin-2-yl]piperidine;2-[(2S)-2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]pyridine;4-[(2S)-2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]pyridine;2-[(2S)-2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]pyrimidine;2-[(2S)-2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]-1,3-thiazole (CID 158788915) is N,N-dimethyl-2-[(2S)-2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]acetamide;methyl 2-[(2S)-2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]acetate;1-methyl-4-[(2S)-1-phenylpyrrolidin-2-yl]piperidine;2-[(2S)-2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]pyridine;4-[(2S)-2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]pyridine;2-[(2S)-2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]pyrimidine;2-[(2S)-2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]-1,3-thiazole.
What is the SMILES notation for N,N-dimethyl-2-[(2S)-2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]acetamide;methyl 2-[(2S)-2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]acetate;1-methyl-4-[(2S)-1-phenylpyrrolidin-2-yl]piperidine;2-[(2S)-2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]pyridine;4-[(2S)-2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]pyridine;2-[(2S)-2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]pyrimidine;2-[(2S)-2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]-1,3-thiazole?
The canonical SMILES for N,N-dimethyl-2-[(2S)-2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]acetamide;methyl 2-[(2S)-2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]acetate;1-methyl-4-[(2S)-1-phenylpyrrolidin-2-yl]piperidine;2-[(2S)-2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]pyridine;4-[(2S)-2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]pyridine;2-[(2S)-2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]pyrimidine;2-[(2S)-2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]-1,3-thiazole is CN1CCC([C@@H]2CCCN2CC(=O)N(C)C)CC1.CN1CCC([C@@H]2CCCN2c2ccccc2)CC1.CN1CCC([C@@H]2CCCN2c2ccccn2)CC1.CN1CCC([C@@H]2CCCN2c2ccncc2)CC1.CN1CCC([C@@H]2CCCN2c2ncccn2)CC1.CN1CCC([C@@H]2CCCN2c2nccs2)CC1.COC(=O)CN1CCC[C@H]1C1CCN(C)CC1.
What is the InChIKey of N,N-dimethyl-2-[(2S)-2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]acetamide;methyl 2-[(2S)-2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]acetate;1-methyl-4-[(2S)-1-phenylpyrrolidin-2-yl]piperidine;2-[(2S)-2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]pyridine;4-[(2S)-2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]pyridine;2-[(2S)-2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]pyrimidine;2-[(2S)-2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]-1,3-thiazole?
The InChIKey is ISAJFSIBHYEFBU-JAACCTTDSA-N. The full InChI is InChI=1S/C16H24N2.2C15H23N3.C14H22N4.C14H27N3O.C13H21N3S.C13H24N2O2/c1-17-12-9-14(10-13-17)16-8-5-11-18(16)15-6-3-2-4-7-15;1-17-11-6-13(7-12-17)15-3-2-10-18(15)14-4-8-16-9-5-14;1-17-11-7-13(8-12-17)14-5-4-10-18(14)15-6-2-3-9-16-15;1-17-10-5-12(6-11-17)13-4-2-9-18(13)14-15-7-3-8-16-14;1-15(2)14(18)11-17-8-4-5-13(17)12-6-9-16(3)10-7-12;1-15-8-4-11(5-9-15)12-3-2-7-16(12)13-14-6-10-17-13;1-14-8-5-11(6-9-14)12-4-3-7-15(12)10-13(16)17-2/h2-4,6-7,14,16H,5,8-13H2,1H3;4-5,8-9,13,15H,2-3,6-7,10-12H2,1H3;2-3,6,9,13-14H,4-5,7-8,10-12H2,1H3;3,7-8,12-13H,2,4-6,9-11H2,1H3;12-13H,4-11H2,1-3H3;6,10-12H,2-5,7-9H2,1H3;11-12H,3-10H2,1-2H3/t16-;15-;14-;2*13-;2*12-/m0000000/s1.
What are the key properties of N,N-dimethyl-2-[(2S)-2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]acetamide;methyl 2-[(2S)-2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]acetate;1-methyl-4-[(2S)-1-phenylpyrrolidin-2-yl]piperidine;2-[(2S)-2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]pyridine;4-[(2S)-2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]pyridine;2-[(2S)-2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]pyrimidine;2-[(2S)-2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]-1,3-thiazole?
N,N-dimethyl-2-[(2S)-2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]acetamide;methyl 2-[(2S)-2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]acetate;1-methyl-4-[(2S)-1-phenylpyrrolidin-2-yl]piperidine;2-[(2S)-2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]pyridine;4-[(2S)-2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]pyridine;2-[(2S)-2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]pyrimidine;2-[(2S)-2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]-1,3-thiazole has a molecular weight of 1726.62 g/mol, XLogP of 13.87, 16 rotatable bonds, 0 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[(2S)-2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]acetamide;methyl 2-[(2S)-2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]acetate;1-methyl-4-[(2S)-1-phenylpyrrolidin-2-yl]piperidine;2-[(2S)-2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]pyridine;4-[(2S)-2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]pyridine;2-[(2S)-2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]pyrimidine;2-[(2S)-2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]-1,3-thiazole is sourced from PubChem (CID 158788915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).