1-(benzenesulfonyl)-N-(2-piperidin-1-ylethyl)piperidine-4-carboxamide

C19H29N3O3S — CID 55723344

IUPAC1-(benzenesulfonyl)-N-(2-piperidin-1-ylethyl)piperidine-4-carboxamide
SMILESO=C(NCCN1CCCCC1)C1CCN(S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C19H29N3O3S/c23-19(20-11-16-21-12-5-2-6-13-21)17-9-14-22(15-10-17)26(24,25)18-7-3-1-4-8-18/h1,3-4,7-8,17H,2,5-6,9-16H2,(H,20,23)
InChIKeyPWMQPUNDHNTDIE-UHFFFAOYSA-N
MW379.53 g/mol
LogP1.69
Rot. Bonds6

About 1-(benzenesulfonyl)-N-(2-piperidin-1-ylethyl)piperidine-4-carboxamide

1-(benzenesulfonyl)-N-(2-piperidin-1-ylethyl)piperidine-4-carboxamide (PubChem CID 55723344) has the molecular formula C19H29N3O3S and a molecular weight of 379.53 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-N-(2-piperidin-1-ylethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(benzenesulfonyl)-N-(2-piperidin-1-ylethyl)piperidine-4-carboxamide
PubChem CID55723344
Molecular FormulaC19H29N3O3S
Molecular Weight379.53 g/mol
Exact Mass379.19
IUPAC Name1-(benzenesulfonyl)-N-(2-piperidin-1-ylethyl)piperidine-4-carboxamide
SMILESO=C(NCCN1CCCCC1)C1CCN(S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C19H29N3O3S/c23-19(20-11-16-21-12-5-2-6-13-21)17-9-14-22(15-10-17)26(24,25)18-7-3-1-4-8-18/h1,3-4,7-8,17H,2,5-6,9-16H2,(H,20,23)
InChIKeyPWMQPUNDHNTDIE-UHFFFAOYSA-N
XLogP1.69
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.53
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(benzenesulfonyl)-N-[2-(3,5-dimethylpiperidin-1-yl)ethyl]piperidine-4-carboxamide
CID 55723351
1-(benzenesulfonyl)-N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]piperidine-4-carboxamide
CID 43044329
1-(benzenesulfonyl)-N-[3-(3-methylpiperidin-1-yl)propyl]piperidine-4-carboxamide
CID 133167065
N-[3-(azepan-1-yl)propyl]-1-(benzenesulfonyl)piperidine-3-carboxamide
CID 133167771
1-(2-carbamoylphenyl)sulfonyl-N-(2-pyrrolidin-1-ylethyl)piperidine-4-carboxamide
CID 8531440
1-(benzenesulfonyl)-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]piperidine-4-carboxamide
CID 28561875
1-(benzenesulfonyl)-N-[2-(4-bromopyrazol-1-yl)ethyl]piperidine-4-carboxamide
CID 19282977
N-(3-piperidin-1-ylpropyl)-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidine-4-carboxamide
CID 27743802
1-(benzenesulfonyl)-N-(3-phenoxypropyl)piperidine-4-carboxamide
CID 17478459
N-[2-[1-(benzenesulfonyl)pyrrolidin-3-yl]ethyl]cyclooctanecarboxamide
CID 173136491
1-(benzenesulfonyl)-N-[2-(ethylamino)-2-oxoethyl]piperidine-4-carboxamide
CID 18110259
N-[2-(azepan-1-yl)ethyl]-1-(2,5-difluorophenyl)sulfonylpiperidine-4-carboxamide
CID 55613661

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-N-(2-piperidin-1-ylethyl)piperidine-4-carboxamide?
The IUPAC name of 1-(benzenesulfonyl)-N-(2-piperidin-1-ylethyl)piperidine-4-carboxamide (CID 55723344) is 1-(benzenesulfonyl)-N-(2-piperidin-1-ylethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(benzenesulfonyl)-N-(2-piperidin-1-ylethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(benzenesulfonyl)-N-(2-piperidin-1-ylethyl)piperidine-4-carboxamide is O=C(NCCN1CCCCC1)C1CCN(S(=O)(=O)c2ccccc2)CC1.
What is the InChIKey of 1-(benzenesulfonyl)-N-(2-piperidin-1-ylethyl)piperidine-4-carboxamide?
The InChIKey is PWMQPUNDHNTDIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O3S/c23-19(20-11-16-21-12-5-2-6-13-21)17-9-14-22(15-10-17)26(24,25)18-7-3-1-4-8-18/h1,3-4,7-8,17H,2,5-6,9-16H2,(H,20,23).
What are the key properties of 1-(benzenesulfonyl)-N-(2-piperidin-1-ylethyl)piperidine-4-carboxamide?
1-(benzenesulfonyl)-N-(2-piperidin-1-ylethyl)piperidine-4-carboxamide has a molecular weight of 379.53 g/mol, XLogP of 1.69, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-N-(2-piperidin-1-ylethyl)piperidine-4-carboxamide is sourced from PubChem (CID 55723344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).