N-(1-benzylpiperidin-4-yl)-1-methylsulfonylpiperidine-3-carboxamide

C19H29N3O3S — CID 55556316

IUPACN-(1-benzylpiperidin-4-yl)-1-methylsulfonylpiperidine-3-carboxamide
SMILESCS(=O)(=O)N1CCCC(C(=O)NC2CCN(Cc3ccccc3)CC2)C1
InChIInChI=1S/C19H29N3O3S/c1-26(24,25)22-11-5-8-17(15-22)19(23)20-18-9-12-21(13-10-18)14-16-6-3-2-4-7-16/h2-4,6-7,17-18H,5,8-15H2,1H3,(H,20,23)
InChIKeyISDVSSUTUPHKDK-UHFFFAOYSA-N
MW379.53 g/mol
LogP1.44
Rot. Bonds5

About N-(1-benzylpiperidin-4-yl)-1-methylsulfonylpiperidine-3-carboxamide

N-(1-benzylpiperidin-4-yl)-1-methylsulfonylpiperidine-3-carboxamide (PubChem CID 55556316) has the molecular formula C19H29N3O3S and a molecular weight of 379.53 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-1-methylsulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-1-methylsulfonylpiperidine-3-carboxamide
PubChem CID55556316
Molecular FormulaC19H29N3O3S
Molecular Weight379.53 g/mol
Exact Mass379.19
IUPAC NameN-(1-benzylpiperidin-4-yl)-1-methylsulfonylpiperidine-3-carboxamide
SMILESCS(=O)(=O)N1CCCC(C(=O)NC2CCN(Cc3ccccc3)CC2)C1
InChIInChI=1S/C19H29N3O3S/c1-26(24,25)22-11-5-8-17(15-22)19(23)20-18-9-12-21(13-10-18)14-16-6-3-2-4-7-16/h2-4,6-7,17-18H,5,8-15H2,1H3,(H,20,23)
InChIKeyISDVSSUTUPHKDK-UHFFFAOYSA-N
XLogP1.44
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.53
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-benzylpiperidin-4-yl)cyclobutanecarboxamide
CID 2729529
(4-benzylpiperazin-1-yl)-[(3R)-1-methylsulfonylpiperidin-3-yl]methanone
CID 7376452
(3S)-N-(1-benzylpiperidin-4-yl)-1-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonyl]piperidine-3-carboxamide
CID 92666555
N-(1-benzylpyrrolidin-3-yl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 24633039
N-(1-benzylpiperidin-4-yl)-1-butanoylpiperidine-3-carboxamide
CID 55882707
(3S)-N-cyclopentyl-1-methylsulfonylpiperidine-3-carboxamide
CID 6938499
(3R)-N-(2-methyl-1-phenylpropan-2-yl)-1-methylsulfonylpiperidine-3-carboxamide
CID 95875444
1-benzyl-N-cyclopentylpiperidine-4-carboxamide
CID 2186968
N-(1-benzylpiperidin-4-yl)-1-(4-methylbenzoyl)piperidine-3-carboxamide
CID 46404586
1-methylsulfonyl-N-[[3-(piperidin-1-ylmethyl)phenyl]methyl]piperidine-3-carboxamide
CID 133190377
N-(1-benzylpiperidin-4-yl)-1-pyridin-4-ylpiperidine-3-carboxamide
CID 46384645
1-acetyl-N-(1-benzylpiperidin-4-yl)piperidine-4-carboxamide
CID 108804424

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-4-yl)-1-methylsulfonylpiperidine-3-carboxamide?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-1-methylsulfonylpiperidine-3-carboxamide (CID 55556316) is N-(1-benzylpiperidin-4-yl)-1-methylsulfonylpiperidine-3-carboxamide.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-1-methylsulfonylpiperidine-3-carboxamide?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-1-methylsulfonylpiperidine-3-carboxamide is CS(=O)(=O)N1CCCC(C(=O)NC2CCN(Cc3ccccc3)CC2)C1.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-1-methylsulfonylpiperidine-3-carboxamide?
The InChIKey is ISDVSSUTUPHKDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O3S/c1-26(24,25)22-11-5-8-17(15-22)19(23)20-18-9-12-21(13-10-18)14-16-6-3-2-4-7-16/h2-4,6-7,17-18H,5,8-15H2,1H3,(H,20,23).
What are the key properties of N-(1-benzylpiperidin-4-yl)-1-methylsulfonylpiperidine-3-carboxamide?
N-(1-benzylpiperidin-4-yl)-1-methylsulfonylpiperidine-3-carboxamide has a molecular weight of 379.53 g/mol, XLogP of 1.44, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-4-yl)-1-methylsulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 55556316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).