1-(4-cyanophenyl)sulfonyl-N-propan-2-ylpiperidine-4-carboxamide

C16H21N3O3S — CID 26273466

IUPAC1-(4-cyanophenyl)sulfonyl-N-propan-2-ylpiperidine-4-carboxamide
SMILESCC(C)NC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1
InChIInChI=1S/C16H21N3O3S/c1-12(2)18-16(20)14-7-9-19(10-8-14)23(21,22)15-5-3-13(11-17)4-6-15/h3-6,12,14H,7-10H2,1-2H3,(H,18,20)
InChIKeyFYOKXIMRTRYAEQ-UHFFFAOYSA-N
MW335.43 g/mol
LogP1.48
Rot. Bonds4

About 1-(4-cyanophenyl)sulfonyl-N-propan-2-ylpiperidine-4-carboxamide

1-(4-cyanophenyl)sulfonyl-N-propan-2-ylpiperidine-4-carboxamide (PubChem CID 26273466) has the molecular formula C16H21N3O3S and a molecular weight of 335.43 g/mol. Its IUPAC name is 1-(4-cyanophenyl)sulfonyl-N-propan-2-ylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-(4-cyanophenyl)sulfonyl-N-propan-2-ylpiperidine-4-carboxamide
PubChem CID26273466
Molecular FormulaC16H21N3O3S
Molecular Weight335.43 g/mol
Exact Mass335.13
IUPAC Name1-(4-cyanophenyl)sulfonyl-N-propan-2-ylpiperidine-4-carboxamide
SMILESCC(C)NC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1
InChIInChI=1S/C16H21N3O3S/c1-12(2)18-16(20)14-7-9-19(10-8-14)23(21,22)15-5-3-13(11-17)4-6-15/h3-6,12,14H,7-10H2,1-2H3,(H,18,20)
InChIKeyFYOKXIMRTRYAEQ-UHFFFAOYSA-N
XLogP1.48
TPSA90.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.43
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(4-cyanophenyl)ethyl]-1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxamide
CID 55582684
1-(4-cyanophenyl)sulfonyl-N-(3-methylbutyl)piperidine-4-carboxamide
CID 26689303
1-(4-cyanophenyl)sulfonyl-N-(cyclopropylmethyl)piperidine-4-carboxamide
CID 33456378
N-[(4-chlorophenyl)-cyclopropylmethyl]-1-(4-cyanophenyl)sulfonylpiperidine-4-carboxamide
CID 45353380
1-(4-cyanophenyl)sulfonyl-N-(2,6-dimethylphenyl)piperidine-4-carboxamide
CID 26692920
1-(4-tert-butylphenyl)sulfonyl-N-(4-cyanophenyl)piperidine-4-carboxamide
CID 26289870
N-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-1-(4-cyanophenyl)sulfonylpiperidine-4-carboxamide
CID 25406790
1-(4-cyanophenyl)sulfonyl-N-[2-(diethylamino)ethyl]piperidine-4-carboxamide
CID 8865714
N-butan-2-yl-1-(4-cyanophenyl)sulfonyl-N-methylpiperidine-4-carboxamide
CID 134006146
1-(4-cyanophenyl)sulfonyl-N-(2-pyrrolidin-1-ium-1-ylethyl)piperidine-4-carboxamide
CID 8531436
N-(3-chloro-2-methylphenyl)-1-(4-cyanophenyl)sulfonylpiperidine-4-carboxamide
CID 9074610
4-[4-(4-methylbenzoyl)piperidin-1-yl]sulfonylbenzonitrile
CID 47065260

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyanophenyl)sulfonyl-N-propan-2-ylpiperidine-4-carboxamide?
The IUPAC name of 1-(4-cyanophenyl)sulfonyl-N-propan-2-ylpiperidine-4-carboxamide (CID 26273466) is 1-(4-cyanophenyl)sulfonyl-N-propan-2-ylpiperidine-4-carboxamide.
What is the SMILES notation for 1-(4-cyanophenyl)sulfonyl-N-propan-2-ylpiperidine-4-carboxamide?
The canonical SMILES for 1-(4-cyanophenyl)sulfonyl-N-propan-2-ylpiperidine-4-carboxamide is CC(C)NC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1.
What is the InChIKey of 1-(4-cyanophenyl)sulfonyl-N-propan-2-ylpiperidine-4-carboxamide?
The InChIKey is FYOKXIMRTRYAEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3S/c1-12(2)18-16(20)14-7-9-19(10-8-14)23(21,22)15-5-3-13(11-17)4-6-15/h3-6,12,14H,7-10H2,1-2H3,(H,18,20).
What are the key properties of 1-(4-cyanophenyl)sulfonyl-N-propan-2-ylpiperidine-4-carboxamide?
1-(4-cyanophenyl)sulfonyl-N-propan-2-ylpiperidine-4-carboxamide has a molecular weight of 335.43 g/mol, XLogP of 1.48, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyanophenyl)sulfonyl-N-propan-2-ylpiperidine-4-carboxamide is sourced from PubChem (CID 26273466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).