(3R)-1-(1-propylsulfonylpiperidin-4-yl)-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide

C20H32N4O3S — CID 96579409

IUPAC(3R)-1-(1-propylsulfonylpiperidin-4-yl)-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
SMILESCCCS(=O)(=O)N1CCC(N2CCC[C@@H](C(=O)NCc3ccccn3)C2)CC1
InChIInChI=1S/C20H32N4O3S/c1-2-14-28(26,27)24-12-8-19(9-13-24)23-11-5-6-17(16-23)20(25)22-15-18-7-3-4-10-21-18/h3-4,7,10,17,19H,2,5-6,8-9,11-16H2,1H3,(H,22,25)/t17-/m1/s1
InChIKeyGRPMUKXJAUDSQI-QGZVFWFLSA-N
MW408.57 g/mol
LogP1.61
Rot. Bonds7

About (3R)-1-(1-propylsulfonylpiperidin-4-yl)-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide

(3R)-1-(1-propylsulfonylpiperidin-4-yl)-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide (PubChem CID 96579409) has the molecular formula C20H32N4O3S and a molecular weight of 408.57 g/mol. Its IUPAC name is (3R)-1-(1-propylsulfonylpiperidin-4-yl)-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-(1-propylsulfonylpiperidin-4-yl)-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
PubChem CID96579409
Molecular FormulaC20H32N4O3S
Molecular Weight408.57 g/mol
Exact Mass408.22
IUPAC Name(3R)-1-(1-propylsulfonylpiperidin-4-yl)-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
SMILESCCCS(=O)(=O)N1CCC(N2CCC[C@@H](C(=O)NCc3ccccn3)C2)CC1
InChIInChI=1S/C20H32N4O3S/c1-2-14-28(26,27)24-12-8-19(9-13-24)23-11-5-6-17(16-23)20(25)22-15-18-7-3-4-10-21-18/h3-4,7,10,17,19H,2,5-6,8-9,11-16H2,1H3,(H,22,25)/t17-/m1/s1
InChIKeyGRPMUKXJAUDSQI-QGZVFWFLSA-N
XLogP1.61
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.57
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-propylsulfonyl-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 4532780
(3S)-1-(1-pentanoylpiperidin-4-yl)-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 95435827
1-(1-pentanoylpiperidin-4-yl)-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 56863441
propyl 4-[(3R)-3-(pyridin-2-ylmethylcarbamoyl)piperidin-1-yl]piperidine-1-carboxylate
CID 95543017
1-[1-(2-methylpropanoyl)piperidin-4-yl]-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 56869421
1-(2-methoxyethylsulfonyl)-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 110335855
(3S)-1-[1-(pyridine-2-carbonyl)piperidin-4-yl]-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 96579721
(3R)-1-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 96577754
(3R)-1-[1-(3-aminopropanoyl)piperidin-4-yl]-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 95563492
(3R)-1-[1-(2,2-difluoroethyl)piperidin-4-yl]-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 95556400
(3S)-1-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 96571119
(3S)-1-[1-(3,6-dimethylpyrazin-2-yl)piperidin-4-yl]-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 96575243

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(1-propylsulfonylpiperidin-4-yl)-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide?
The IUPAC name of (3R)-1-(1-propylsulfonylpiperidin-4-yl)-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide (CID 96579409) is (3R)-1-(1-propylsulfonylpiperidin-4-yl)-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-(1-propylsulfonylpiperidin-4-yl)-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide?
The canonical SMILES for (3R)-1-(1-propylsulfonylpiperidin-4-yl)-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide is CCCS(=O)(=O)N1CCC(N2CCC[C@@H](C(=O)NCc3ccccn3)C2)CC1.
What is the InChIKey of (3R)-1-(1-propylsulfonylpiperidin-4-yl)-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide?
The InChIKey is GRPMUKXJAUDSQI-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H32N4O3S/c1-2-14-28(26,27)24-12-8-19(9-13-24)23-11-5-6-17(16-23)20(25)22-15-18-7-3-4-10-21-18/h3-4,7,10,17,19H,2,5-6,8-9,11-16H2,1H3,(H,22,25)/t17-/m1/s1.
What are the key properties of (3R)-1-(1-propylsulfonylpiperidin-4-yl)-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide?
(3R)-1-(1-propylsulfonylpiperidin-4-yl)-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide has a molecular weight of 408.57 g/mol, XLogP of 1.61, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(1-propylsulfonylpiperidin-4-yl)-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide is sourced from PubChem (CID 96579409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).