N-cycloheptyl-1-(1-methylimidazol-4-yl)sulfonylpiperidine-4-carboxamide

C17H28N4O3S — CID 53085415

IUPACN-cycloheptyl-1-(1-methylimidazol-4-yl)sulfonylpiperidine-4-carboxamide
SMILESCn1cnc(S(=O)(=O)N2CCC(C(=O)NC3CCCCCC3)CC2)c1
InChIInChI=1S/C17H28N4O3S/c1-20-12-16(18-13-20)25(23,24)21-10-8-14(9-11-21)17(22)19-15-6-4-2-3-5-7-15/h12-15H,2-11H2,1H3,(H,19,22)
InChIKeyCKPKPADHXRQYNS-UHFFFAOYSA-N
MW368.50 g/mol
LogP1.66
Rot. Bonds4

About N-cycloheptyl-1-(1-methylimidazol-4-yl)sulfonylpiperidine-4-carboxamide

N-cycloheptyl-1-(1-methylimidazol-4-yl)sulfonylpiperidine-4-carboxamide (PubChem CID 53085415) has the molecular formula C17H28N4O3S and a molecular weight of 368.50 g/mol. Its IUPAC name is N-cycloheptyl-1-(1-methylimidazol-4-yl)sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-cycloheptyl-1-(1-methylimidazol-4-yl)sulfonylpiperidine-4-carboxamide
PubChem CID53085415
Molecular FormulaC17H28N4O3S
Molecular Weight368.50 g/mol
Exact Mass368.19
IUPAC NameN-cycloheptyl-1-(1-methylimidazol-4-yl)sulfonylpiperidine-4-carboxamide
SMILESCn1cnc(S(=O)(=O)N2CCC(C(=O)NC3CCCCCC3)CC2)c1
InChIInChI=1S/C17H28N4O3S/c1-20-12-16(18-13-20)25(23,24)21-10-8-14(9-11-21)17(22)19-15-6-4-2-3-5-7-15/h12-15H,2-11H2,1H3,(H,19,22)
InChIKeyCKPKPADHXRQYNS-UHFFFAOYSA-N
XLogP1.66
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.50
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclooctyl-1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidine-4-carboxamide
CID 46332114
1-(1-methylimidazol-4-yl)sulfonyl-N-(6-tricyclo[5.3.1.03,9]undecanyl)piperidine-4-carboxamide
CID 71146764
1-(1-methylimidazol-4-yl)sulfonyl-N-(4-methylphenyl)piperidine-4-carboxamide
CID 53085439
N-(4-acetylphenyl)-1-(1-methylimidazol-4-yl)sulfonylpiperidine-4-carboxamide
CID 53085413
1-(1-methylimidazol-4-yl)sulfonyl-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide
CID 53085431
N-(4-ethoxyphenyl)-1-(1-methylimidazol-4-yl)sulfonylpiperidine-4-carboxamide
CID 53085419
4-bromo-1-(1-methylimidazol-4-yl)sulfonylpiperidine
CID 80673248
N-cycloheptyl-1-methylsulfonylpiperidine-4-carboxamide
CID 774769
2-methyl-1-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]piperidine
CID 154002650
(3R)-N-cyclopentyl-1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidine-3-carboxamide
CID 95073466
2-(1-methylimidazol-4-yl)sulfonyl-1,3,3a,4,5,6,7,7a-octahydroisoindole
CID 71861370
(4S)-1-(1-methylimidazol-4-yl)sulfonylazepan-4-amine
CID 95715901

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-1-(1-methylimidazol-4-yl)sulfonylpiperidine-4-carboxamide?
The IUPAC name of N-cycloheptyl-1-(1-methylimidazol-4-yl)sulfonylpiperidine-4-carboxamide (CID 53085415) is N-cycloheptyl-1-(1-methylimidazol-4-yl)sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-cycloheptyl-1-(1-methylimidazol-4-yl)sulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-cycloheptyl-1-(1-methylimidazol-4-yl)sulfonylpiperidine-4-carboxamide is Cn1cnc(S(=O)(=O)N2CCC(C(=O)NC3CCCCCC3)CC2)c1.
What is the InChIKey of N-cycloheptyl-1-(1-methylimidazol-4-yl)sulfonylpiperidine-4-carboxamide?
The InChIKey is CKPKPADHXRQYNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O3S/c1-20-12-16(18-13-20)25(23,24)21-10-8-14(9-11-21)17(22)19-15-6-4-2-3-5-7-15/h12-15H,2-11H2,1H3,(H,19,22).
What are the key properties of N-cycloheptyl-1-(1-methylimidazol-4-yl)sulfonylpiperidine-4-carboxamide?
N-cycloheptyl-1-(1-methylimidazol-4-yl)sulfonylpiperidine-4-carboxamide has a molecular weight of 368.50 g/mol, XLogP of 1.66, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-1-(1-methylimidazol-4-yl)sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 53085415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).