(3R)-1-benzylsulfonyl-N-(2-pyridin-2-ylethyl)piperidine-3-carboxamide

C20H25N3O3S — CID 1445005

IUPAC(3R)-1-benzylsulfonyl-N-(2-pyridin-2-ylethyl)piperidine-3-carboxamide
SMILESO=C(NCCc1ccccn1)[C@@H]1CCCN(S(=O)(=O)Cc2ccccc2)C1
InChIInChI=1S/C20H25N3O3S/c24-20(22-13-11-19-10-4-5-12-21-19)18-9-6-14-23(15-18)27(25,26)16-17-7-2-1-3-8-17/h1-5,7-8,10,12,18H,6,9,11,13-16H2,(H,22,24)/t18-/m1/s1
InChIKeyKEJNGXDFGRTWEG-GOSISDBHSA-N
MW387.51 g/mol
LogP1.98
Rot. Bonds7

About (3R)-1-benzylsulfonyl-N-(2-pyridin-2-ylethyl)piperidine-3-carboxamide

(3R)-1-benzylsulfonyl-N-(2-pyridin-2-ylethyl)piperidine-3-carboxamide (PubChem CID 1445005) has the molecular formula C20H25N3O3S and a molecular weight of 387.51 g/mol. Its IUPAC name is (3R)-1-benzylsulfonyl-N-(2-pyridin-2-ylethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-benzylsulfonyl-N-(2-pyridin-2-ylethyl)piperidine-3-carboxamide
PubChem CID1445005
Molecular FormulaC20H25N3O3S
Molecular Weight387.51 g/mol
Exact Mass387.16
IUPAC Name(3R)-1-benzylsulfonyl-N-(2-pyridin-2-ylethyl)piperidine-3-carboxamide
SMILESO=C(NCCc1ccccn1)[C@@H]1CCCN(S(=O)(=O)Cc2ccccc2)C1
InChIInChI=1S/C20H25N3O3S/c24-20(22-13-11-19-10-4-5-12-21-19)18-9-6-14-23(15-18)27(25,26)16-17-7-2-1-3-8-17/h1-5,7-8,10,12,18H,6,9,11,13-16H2,(H,22,24)/t18-/m1/s1
InChIKeyKEJNGXDFGRTWEG-GOSISDBHSA-N
XLogP1.98
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.51
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-1-[(4-chlorophenyl)methylsulfonyl]-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 92641975
(3S)-1-benzylsulfonyl-N-[2-(4-fluorophenyl)ethyl]piperidine-3-carboxamide
CID 1445004
4-[(1-benzylsulfonylpiperidine-3-carbonyl)amino]butanoic acid
CID 119171136
1-benzylsulfonyl-N-[2-(ethylamino)ethyl]piperidine-3-carboxamide
CID 119506455
(3R)-1-benzylsulfonyl-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide
CID 1445009
(3S)-1-benzylsulfonyl-N-[2-(cyclohexen-1-yl)ethyl]piperidine-3-carboxamide
CID 92641347
(3S)-1-(5-bromothiophen-2-yl)sulfonyl-N-(2-pyridin-2-ylethyl)piperidine-3-carboxamide
CID 30376778
1-(5-methylthiophen-2-yl)sulfonyl-N-(2-pyridin-2-ylethyl)piperidine-3-carboxamide
CID 55526975
N-(3-aminobutyl)-1-benzylsulfonylpiperidine-3-carboxamide;hydrochloride
CID 119496646
(3S)-1-benzylsulfonyl-N'-(cyclopropanecarbonyl)piperidine-3-carbohydrazide
CID 1444999
N-(2-phenylethyl)-1-(3-phenylpropylsulfonyl)piperidine-3-carboxamide
CID 43876653
N-(2-pyridin-2-ylethyl)cyclopentanecarboxamide
CID 110872250

Frequently Asked Questions

What is the IUPAC name of (3R)-1-benzylsulfonyl-N-(2-pyridin-2-ylethyl)piperidine-3-carboxamide?
The IUPAC name of (3R)-1-benzylsulfonyl-N-(2-pyridin-2-ylethyl)piperidine-3-carboxamide (CID 1445005) is (3R)-1-benzylsulfonyl-N-(2-pyridin-2-ylethyl)piperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-benzylsulfonyl-N-(2-pyridin-2-ylethyl)piperidine-3-carboxamide?
The canonical SMILES for (3R)-1-benzylsulfonyl-N-(2-pyridin-2-ylethyl)piperidine-3-carboxamide is O=C(NCCc1ccccn1)[C@@H]1CCCN(S(=O)(=O)Cc2ccccc2)C1.
What is the InChIKey of (3R)-1-benzylsulfonyl-N-(2-pyridin-2-ylethyl)piperidine-3-carboxamide?
The InChIKey is KEJNGXDFGRTWEG-GOSISDBHSA-N. The full InChI is InChI=1S/C20H25N3O3S/c24-20(22-13-11-19-10-4-5-12-21-19)18-9-6-14-23(15-18)27(25,26)16-17-7-2-1-3-8-17/h1-5,7-8,10,12,18H,6,9,11,13-16H2,(H,22,24)/t18-/m1/s1.
What are the key properties of (3R)-1-benzylsulfonyl-N-(2-pyridin-2-ylethyl)piperidine-3-carboxamide?
(3R)-1-benzylsulfonyl-N-(2-pyridin-2-ylethyl)piperidine-3-carboxamide has a molecular weight of 387.51 g/mol, XLogP of 1.98, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-benzylsulfonyl-N-(2-pyridin-2-ylethyl)piperidine-3-carboxamide is sourced from PubChem (CID 1445005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).