N-[(2S)-1-[(3R)-3-methylpiperidin-1-yl]propan-2-yl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide

C20H32N4O3S — CID 98954697

IUPACN-[(2S)-1-[(3R)-3-methylpiperidin-1-yl]propan-2-yl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
SMILESC[C@@H]1CCCN(C[C@H](C)NC(=O)C2CCN(S(=O)(=O)c3cccnc3)CC2)C1
InChIInChI=1S/C20H32N4O3S/c1-16-5-4-10-23(14-16)15-17(2)22-20(25)18-7-11-24(12-8-18)28(26,27)19-6-3-9-21-13-19/h3,6,9,13,16-18H,4-5,7-8,10-12,14-15H2,1-2H3,(H,22,25)/t16-,17+/m1/s1
InChIKeyWCEHUMBHGZCJFN-SJORKVTESA-N
MW408.57 g/mol
LogP1.72
Rot. Bonds6

About N-[(2S)-1-[(3R)-3-methylpiperidin-1-yl]propan-2-yl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide

N-[(2S)-1-[(3R)-3-methylpiperidin-1-yl]propan-2-yl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide (PubChem CID 98954697) has the molecular formula C20H32N4O3S and a molecular weight of 408.57 g/mol. Its IUPAC name is N-[(2S)-1-[(3R)-3-methylpiperidin-1-yl]propan-2-yl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-[(3R)-3-methylpiperidin-1-yl]propan-2-yl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
PubChem CID98954697
Molecular FormulaC20H32N4O3S
Molecular Weight408.57 g/mol
Exact Mass408.22
IUPAC NameN-[(2S)-1-[(3R)-3-methylpiperidin-1-yl]propan-2-yl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
SMILESC[C@@H]1CCCN(C[C@H](C)NC(=O)C2CCN(S(=O)(=O)c3cccnc3)CC2)C1
InChIInChI=1S/C20H32N4O3S/c1-16-5-4-10-23(14-16)15-17(2)22-20(25)18-7-11-24(12-8-18)28(26,27)19-6-3-9-21-13-19/h3,6,9,13,16-18H,4-5,7-8,10-12,14-15H2,1-2H3,(H,22,25)/t16-,17+/m1/s1
InChIKeyWCEHUMBHGZCJFN-SJORKVTESA-N
XLogP1.72
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.57
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(2S)-1-[(3R)-3-methylpiperidin-1-yl]propan-2-yl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide with MolForge

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Related Compounds

N-pentan-2-yl-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 46407164
N-(1-pyridin-3-ylethyl)-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 43066226
N-[(2S)-1-[(3R)-3-methylpiperidin-1-yl]propan-2-yl]-1-pyrimidin-2-ylpiperidine-4-carboxamide
CID 98755620
N-[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 129377016
2-methyl-3-[(1-pyridin-3-ylsulfonylpiperidine-4-carbonyl)amino]propanoic acid
CID 120525861
N-cycloheptyl-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 4137817
N-(3,3-diphenylpropyl)-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 30892157
N-(cyclobutylmethyl)-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 38653049
1-(benzenesulfonyl)-N-[3-(3-methylpiperidin-1-yl)propyl]piperidine-4-carboxamide
CID 133167065
N-[(4-methylphenyl)-phenylmethyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 43071749
N-[cyclopentyl(thiophen-2-yl)methyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 46452333
N-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 46476797

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-[(3R)-3-methylpiperidin-1-yl]propan-2-yl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide?
The IUPAC name of N-[(2S)-1-[(3R)-3-methylpiperidin-1-yl]propan-2-yl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide (CID 98954697) is N-[(2S)-1-[(3R)-3-methylpiperidin-1-yl]propan-2-yl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-[(2S)-1-[(3R)-3-methylpiperidin-1-yl]propan-2-yl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-[(2S)-1-[(3R)-3-methylpiperidin-1-yl]propan-2-yl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide is C[C@@H]1CCCN(C[C@H](C)NC(=O)C2CCN(S(=O)(=O)c3cccnc3)CC2)C1.
What is the InChIKey of N-[(2S)-1-[(3R)-3-methylpiperidin-1-yl]propan-2-yl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide?
The InChIKey is WCEHUMBHGZCJFN-SJORKVTESA-N. The full InChI is InChI=1S/C20H32N4O3S/c1-16-5-4-10-23(14-16)15-17(2)22-20(25)18-7-11-24(12-8-18)28(26,27)19-6-3-9-21-13-19/h3,6,9,13,16-18H,4-5,7-8,10-12,14-15H2,1-2H3,(H,22,25)/t16-,17+/m1/s1.
What are the key properties of N-[(2S)-1-[(3R)-3-methylpiperidin-1-yl]propan-2-yl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide?
N-[(2S)-1-[(3R)-3-methylpiperidin-1-yl]propan-2-yl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide has a molecular weight of 408.57 g/mol, XLogP of 1.72, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-[(3R)-3-methylpiperidin-1-yl]propan-2-yl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 98954697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).