1-(4-cyanophenyl)sulfonyl-N-(3-methylbutyl)piperidine-4-carboxamide

C18H25N3O3S — CID 26689303

IUPAC1-(4-cyanophenyl)sulfonyl-N-(3-methylbutyl)piperidine-4-carboxamide
SMILESCC(C)CCNC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1
InChIInChI=1S/C18H25N3O3S/c1-14(2)7-10-20-18(22)16-8-11-21(12-9-16)25(23,24)17-5-3-15(13-19)4-6-17/h3-6,14,16H,7-12H2,1-2H3,(H,20,22)
InChIKeyUNGQAHKYBMTPCA-UHFFFAOYSA-N
MW363.48 g/mol
LogP2.12
Rot. Bonds6

About 1-(4-cyanophenyl)sulfonyl-N-(3-methylbutyl)piperidine-4-carboxamide

1-(4-cyanophenyl)sulfonyl-N-(3-methylbutyl)piperidine-4-carboxamide (PubChem CID 26689303) has the molecular formula C18H25N3O3S and a molecular weight of 363.48 g/mol. Its IUPAC name is 1-(4-cyanophenyl)sulfonyl-N-(3-methylbutyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(4-cyanophenyl)sulfonyl-N-(3-methylbutyl)piperidine-4-carboxamide
PubChem CID26689303
Molecular FormulaC18H25N3O3S
Molecular Weight363.48 g/mol
Exact Mass363.16
IUPAC Name1-(4-cyanophenyl)sulfonyl-N-(3-methylbutyl)piperidine-4-carboxamide
SMILESCC(C)CCNC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1
InChIInChI=1S/C18H25N3O3S/c1-14(2)7-10-20-18(22)16-8-11-21(12-9-16)25(23,24)17-5-3-15(13-19)4-6-17/h3-6,14,16H,7-12H2,1-2H3,(H,20,22)
InChIKeyUNGQAHKYBMTPCA-UHFFFAOYSA-N
XLogP2.12
TPSA90.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.48
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-acetylphenyl)sulfonyl-N-(3-methylbutyl)piperidine-4-carboxamide
CID 27556617
1-(4-cyanophenyl)sulfonyl-N-[2-(diethylamino)ethyl]piperidine-4-carboxamide
CID 8865714
1-(4-cyanophenyl)sulfonyl-N-propan-2-ylpiperidine-4-carboxamide
CID 26273466
1-(4-cyanophenyl)sulfonyl-N-(cyclopropylmethyl)piperidine-4-carboxamide
CID 33456378
1-(4-cyanophenyl)sulfonyl-N-(2-pyrrolidin-1-ium-1-ylethyl)piperidine-4-carboxamide
CID 8531436
1-(3,4-difluorophenyl)sulfonyl-N-(3-methylbutyl)piperidine-4-carboxamide
CID 26253343
1-(4-cyanophenyl)sulfonyl-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide
CID 17488678
N-[1-(4-cyanophenyl)ethyl]-1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxamide
CID 55582684
N-(3-aminobutyl)-1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxamide;hydrochloride
CID 119495455
1-(4-cyanophenyl)sulfonyl-N-[(2-fluorophenyl)methyl]piperidine-4-carboxamide
CID 9087861
N-[(2R)-3-methyl-1-(3-methylbutylamino)-1-oxobutan-2-yl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 92506922
1-(4-cyanophenyl)sulfonyl-N-[(2,5-dimethylfuran-3-yl)methyl]piperidine-4-carboxamide
CID 86950358

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyanophenyl)sulfonyl-N-(3-methylbutyl)piperidine-4-carboxamide?
The IUPAC name of 1-(4-cyanophenyl)sulfonyl-N-(3-methylbutyl)piperidine-4-carboxamide (CID 26689303) is 1-(4-cyanophenyl)sulfonyl-N-(3-methylbutyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(4-cyanophenyl)sulfonyl-N-(3-methylbutyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(4-cyanophenyl)sulfonyl-N-(3-methylbutyl)piperidine-4-carboxamide is CC(C)CCNC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1.
What is the InChIKey of 1-(4-cyanophenyl)sulfonyl-N-(3-methylbutyl)piperidine-4-carboxamide?
The InChIKey is UNGQAHKYBMTPCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O3S/c1-14(2)7-10-20-18(22)16-8-11-21(12-9-16)25(23,24)17-5-3-15(13-19)4-6-17/h3-6,14,16H,7-12H2,1-2H3,(H,20,22).
What are the key properties of 1-(4-cyanophenyl)sulfonyl-N-(3-methylbutyl)piperidine-4-carboxamide?
1-(4-cyanophenyl)sulfonyl-N-(3-methylbutyl)piperidine-4-carboxamide has a molecular weight of 363.48 g/mol, XLogP of 2.12, 6 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-(3-methylbutyl)piperidine-4-carboxamide is sourced from PubChem (CID 26689303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).