(3R)-1-(cyclopropanecarbonyl)-N-pyridin-3-ylsulfonylpiperidine-3-carboxamide

C15H19N3O4S — CID 95311721

IUPAC(3R)-1-(cyclopropanecarbonyl)-N-pyridin-3-ylsulfonylpiperidine-3-carboxamide
SMILESO=C(NS(=O)(=O)c1cccnc1)[C@@H]1CCCN(C(=O)C2CC2)C1
InChIInChI=1S/C15H19N3O4S/c19-14(17-23(21,22)13-4-1-7-16-9-13)12-3-2-8-18(10-12)15(20)11-5-6-11/h1,4,7,9,11-12H,2-3,5-6,8,10H2,(H,17,19)/t12-/m1/s1
InChIKeyOIPVLXNBPCPNPX-GFCCVEGCSA-N
MW337.40 g/mol
LogP0.54
Rot. Bonds4

About (3R)-1-(cyclopropanecarbonyl)-N-pyridin-3-ylsulfonylpiperidine-3-carboxamide

(3R)-1-(cyclopropanecarbonyl)-N-pyridin-3-ylsulfonylpiperidine-3-carboxamide (PubChem CID 95311721) has the molecular formula C15H19N3O4S and a molecular weight of 337.40 g/mol. Its IUPAC name is (3R)-1-(cyclopropanecarbonyl)-N-pyridin-3-ylsulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-(cyclopropanecarbonyl)-N-pyridin-3-ylsulfonylpiperidine-3-carboxamide
PubChem CID95311721
Molecular FormulaC15H19N3O4S
Molecular Weight337.40 g/mol
Exact Mass337.11
IUPAC Name(3R)-1-(cyclopropanecarbonyl)-N-pyridin-3-ylsulfonylpiperidine-3-carboxamide
SMILESO=C(NS(=O)(=O)c1cccnc1)[C@@H]1CCCN(C(=O)C2CC2)C1
InChIInChI=1S/C15H19N3O4S/c19-14(17-23(21,22)13-4-1-7-16-9-13)12-3-2-8-18(10-12)15(20)11-5-6-11/h1,4,7,9,11-12H,2-3,5-6,8,10H2,(H,17,19)/t12-/m1/s1
InChIKeyOIPVLXNBPCPNPX-GFCCVEGCSA-N
XLogP0.54
TPSA96.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.40
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(benzenesulfonyl)-1-(pyridine-4-carbonyl)piperidine-3-carboxamide
CID 166232544
(3R)-N-methyl-1-pyridin-3-ylsulfonylpiperidine-3-carboxamide
CID 95828955
(3S)-1-(cyclopropanecarbonyl)-N-piperidin-1-ylsulfonylpiperidine-3-carboxamide
CID 95599732
(3R)-1-(cyclopropanecarbonyl)-N-piperidin-1-ylsulfonylpiperidine-3-carboxamide
CID 95599731
N-[(2R)-1-oxo-1-(pyridin-3-ylsulfonylamino)propan-2-yl]cyclohexanecarboxamide
CID 97065422
(3S)-N-(benzenesulfonyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 94185832
N-ethyl-1-[2-[methyl(pyridin-3-ylsulfonyl)amino]acetyl]piperidine-3-carboxamide
CID 49050534
N-[3-(2-aminoethylsulfamoyl)phenyl]-1-(cyclopropanecarbonyl)piperidine-3-carboxamide
CID 119465895
N-(2-aminoethyl)-1-pyridin-3-ylsulfonylpiperidine-3-carboxamide
CID 63253265
(1R,2S,4R,5S)-N-pyridin-3-ylsulfonyltricyclo[3.2.1.02,4]octane-3-carboxamide
CID 166268743
N-pyridin-4-ylsulfonylcyclohexanecarboxamide
CID 71911683
cyclobutyl-[(1R,5S)-6-pyridin-3-ylsulfonyl-3,6-diazabicyclo[3.2.2]nonan-3-yl]methanone
CID 133119861

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(cyclopropanecarbonyl)-N-pyridin-3-ylsulfonylpiperidine-3-carboxamide?
The IUPAC name of (3R)-1-(cyclopropanecarbonyl)-N-pyridin-3-ylsulfonylpiperidine-3-carboxamide (CID 95311721) is (3R)-1-(cyclopropanecarbonyl)-N-pyridin-3-ylsulfonylpiperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-(cyclopropanecarbonyl)-N-pyridin-3-ylsulfonylpiperidine-3-carboxamide?
The canonical SMILES for (3R)-1-(cyclopropanecarbonyl)-N-pyridin-3-ylsulfonylpiperidine-3-carboxamide is O=C(NS(=O)(=O)c1cccnc1)[C@@H]1CCCN(C(=O)C2CC2)C1.
What is the InChIKey of (3R)-1-(cyclopropanecarbonyl)-N-pyridin-3-ylsulfonylpiperidine-3-carboxamide?
The InChIKey is OIPVLXNBPCPNPX-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H19N3O4S/c19-14(17-23(21,22)13-4-1-7-16-9-13)12-3-2-8-18(10-12)15(20)11-5-6-11/h1,4,7,9,11-12H,2-3,5-6,8,10H2,(H,17,19)/t12-/m1/s1.
What are the key properties of (3R)-1-(cyclopropanecarbonyl)-N-pyridin-3-ylsulfonylpiperidine-3-carboxamide?
(3R)-1-(cyclopropanecarbonyl)-N-pyridin-3-ylsulfonylpiperidine-3-carboxamide has a molecular weight of 337.40 g/mol, XLogP of 0.54, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(cyclopropanecarbonyl)-N-pyridin-3-ylsulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 95311721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).