(3R)-N-(2-methylsulfonylethyl)-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide

C20H32N4O3S — CID 96573894

IUPAC(3R)-N-(2-methylsulfonylethyl)-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide
SMILESCS(=O)(=O)CCNC(=O)[C@@H]1CCCN(C2CCN(Cc3cccnc3)CC2)C1
InChIInChI=1S/C20H32N4O3S/c1-28(26,27)13-9-22-20(25)18-5-3-10-24(16-18)19-6-11-23(12-7-19)15-17-4-2-8-21-14-17/h2,4,8,14,18-19H,3,5-7,9-13,15-16H2,1H3,(H,22,25)/t18-/m1/s1
InChIKeyZTAAYQPGTMXCCU-GOSISDBHSA-N
MW408.57 g/mol
LogP0.92
Rot. Bonds7

About (3R)-N-(2-methylsulfonylethyl)-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide

(3R)-N-(2-methylsulfonylethyl)-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide (PubChem CID 96573894) has the molecular formula C20H32N4O3S and a molecular weight of 408.57 g/mol. Its IUPAC name is (3R)-N-(2-methylsulfonylethyl)-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-(2-methylsulfonylethyl)-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide
PubChem CID96573894
Molecular FormulaC20H32N4O3S
Molecular Weight408.57 g/mol
Exact Mass408.22
IUPAC Name(3R)-N-(2-methylsulfonylethyl)-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide
SMILESCS(=O)(=O)CCNC(=O)[C@@H]1CCCN(C2CCN(Cc3cccnc3)CC2)C1
InChIInChI=1S/C20H32N4O3S/c1-28(26,27)13-9-22-20(25)18-5-3-10-24(16-18)19-6-11-23(12-7-19)15-17-4-2-8-21-14-17/h2,4,8,14,18-19H,3,5-7,9-13,15-16H2,1H3,(H,22,25)/t18-/m1/s1
InChIKeyZTAAYQPGTMXCCU-GOSISDBHSA-N
XLogP0.92
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.57
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (3R)-N-(2-methylsulfonylethyl)-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide with MolForge

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Related Compounds

(3R)-N-(2-pyridin-3-ylethyl)-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide
CID 96573997
N-(3,3-dimethylbutyl)-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide
CID 56875611
(3S)-N-(2-methoxyethyl)-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide
CID 95218435
N-(2-pyridin-3-ylethyl)-1-[1-(pyridin-4-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide
CID 70731407
(3S)-N-(cyclohexylmethyl)-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide
CID 96572438
(3R)-N-[(3-methylphenyl)methyl]-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide
CID 96576575
N-(pyridin-2-ylmethyl)-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide
CID 56873982
(3S)-N-[(5-methylfuran-2-yl)methyl]-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide
CID 95554585
(3R)-N-[(1-methylimidazol-2-yl)methyl]-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide
CID 96581071
piperidin-1-yl-[1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidin-3-yl]methanone
CID 56870645
azocan-1-yl-[(3R)-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidin-3-yl]methanone
CID 96573815
(3S)-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]-N-(pyrimidin-4-ylmethyl)piperidine-3-carboxamide
CID 95559160

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(2-methylsulfonylethyl)-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide?
The IUPAC name of (3R)-N-(2-methylsulfonylethyl)-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide (CID 96573894) is (3R)-N-(2-methylsulfonylethyl)-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-(2-methylsulfonylethyl)-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide?
The canonical SMILES for (3R)-N-(2-methylsulfonylethyl)-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide is CS(=O)(=O)CCNC(=O)[C@@H]1CCCN(C2CCN(Cc3cccnc3)CC2)C1.
What is the InChIKey of (3R)-N-(2-methylsulfonylethyl)-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide?
The InChIKey is ZTAAYQPGTMXCCU-GOSISDBHSA-N. The full InChI is InChI=1S/C20H32N4O3S/c1-28(26,27)13-9-22-20(25)18-5-3-10-24(16-18)19-6-11-23(12-7-19)15-17-4-2-8-21-14-17/h2,4,8,14,18-19H,3,5-7,9-13,15-16H2,1H3,(H,22,25)/t18-/m1/s1.
What are the key properties of (3R)-N-(2-methylsulfonylethyl)-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide?
(3R)-N-(2-methylsulfonylethyl)-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide has a molecular weight of 408.57 g/mol, XLogP of 0.92, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(2-methylsulfonylethyl)-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide is sourced from PubChem (CID 96573894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).