N-cycloheptyl-1-(1H-imidazol-5-ylsulfonyl)piperidine-3-carboxamide

C16H26N4O3S — CID 5308846

IUPACN-cycloheptyl-1-(1H-imidazol-5-ylsulfonyl)piperidine-3-carboxamide
SMILESO=C(NC1CCCCCC1)C1CCCN(S(=O)(=O)c2cnc[nH]2)C1
InChIInChI=1S/C16H26N4O3S/c21-16(19-14-7-3-1-2-4-8-14)13-6-5-9-20(11-13)24(22,23)15-10-17-12-18-15/h10,12-14H,1-9,11H2,(H,17,18)(H,19,21)
InChIKeyVUPUXQNTQTVYTB-UHFFFAOYSA-N
MW354.48 g/mol
LogP1.65
Rot. Bonds4

About N-cycloheptyl-1-(1H-imidazol-5-ylsulfonyl)piperidine-3-carboxamide

N-cycloheptyl-1-(1H-imidazol-5-ylsulfonyl)piperidine-3-carboxamide (PubChem CID 5308846) has the molecular formula C16H26N4O3S and a molecular weight of 354.48 g/mol. Its IUPAC name is N-cycloheptyl-1-(1H-imidazol-5-ylsulfonyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-cycloheptyl-1-(1H-imidazol-5-ylsulfonyl)piperidine-3-carboxamide
PubChem CID5308846
Molecular FormulaC16H26N4O3S
Molecular Weight354.48 g/mol
Exact Mass354.17
IUPAC NameN-cycloheptyl-1-(1H-imidazol-5-ylsulfonyl)piperidine-3-carboxamide
SMILESO=C(NC1CCCCCC1)C1CCCN(S(=O)(=O)c2cnc[nH]2)C1
InChIInChI=1S/C16H26N4O3S/c21-16(19-14-7-3-1-2-4-8-14)13-6-5-9-20(11-13)24(22,23)15-10-17-12-18-15/h10,12-14H,1-9,11H2,(H,17,18)(H,19,21)
InChIKeyVUPUXQNTQTVYTB-UHFFFAOYSA-N
XLogP1.65
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.48
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cycloheptyl-1-(1H-imidazol-4-ylsulfonyl)piperidine-4-carboxamide
CID 15998160
N~2~-(1H-imidazol-4-ylsulfonyl)-N~2~-methyl-N~1~-(4-methylcyclohexyl)glycinamide
CID 16188110
N~1~-cycloheptyl-N~2~-(1H-imidazol-4-ylsulfonyl)-N~2~-methylglycinamide
CID 16189353
N-(2-ethylhexyl)-1-(1H-imidazol-4-ylsulfonyl)-3-piperidinecarboxamide
CID 5307411
N-cyclohexyl-1-(1H-imidazol-5-ylsulfonyl)piperidine-3-carboxamide
CID 5308847
N~1~-(2,3-dimethylcyclohexyl)-N~2~-(1H-imidazol-4-ylsulfonyl)-N~2~-methylglycinamide
CID 6620268
N-(2,3-dimethylcyclohexyl)-1-(1H-imidazol-5-ylsulfonyl)piperidine-4-carboxamide
CID 20856449
1-{[1-(1H-imidazol-4-ylsulfonyl)piperidin-4-yl]carbonyl}-4-methylpiperazine
CID 3241121
N-butyl-1-(1H-imidazol-4-ylsulfonyl)piperidine-4-carboxamide
CID 3238989
1-(1H-imidazol-4-ylsulfonyl)-4-[(4-methylpiperidin-1-yl)carbonyl]piperidine
CID 3241075
N-[2-(cyclohexen-1-yl)ethyl]-1-(1H-imidazol-5-ylsulfonyl)piperidine-3-carboxamide
CID 5307779
N-cyclooctyl-1-(1H-imidazol-5-ylsulfonyl)piperidine-3-carboxamide
CID 5308293

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-1-(1H-imidazol-5-ylsulfonyl)piperidine-3-carboxamide?
The IUPAC name of N-cycloheptyl-1-(1H-imidazol-5-ylsulfonyl)piperidine-3-carboxamide (CID 5308846) is N-cycloheptyl-1-(1H-imidazol-5-ylsulfonyl)piperidine-3-carboxamide.
What is the SMILES notation for N-cycloheptyl-1-(1H-imidazol-5-ylsulfonyl)piperidine-3-carboxamide?
The canonical SMILES for N-cycloheptyl-1-(1H-imidazol-5-ylsulfonyl)piperidine-3-carboxamide is O=C(NC1CCCCCC1)C1CCCN(S(=O)(=O)c2cnc[nH]2)C1.
What is the InChIKey of N-cycloheptyl-1-(1H-imidazol-5-ylsulfonyl)piperidine-3-carboxamide?
The InChIKey is VUPUXQNTQTVYTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O3S/c21-16(19-14-7-3-1-2-4-8-14)13-6-5-9-20(11-13)24(22,23)15-10-17-12-18-15/h10,12-14H,1-9,11H2,(H,17,18)(H,19,21).
What are the key properties of N-cycloheptyl-1-(1H-imidazol-5-ylsulfonyl)piperidine-3-carboxamide?
N-cycloheptyl-1-(1H-imidazol-5-ylsulfonyl)piperidine-3-carboxamide has a molecular weight of 354.48 g/mol, XLogP of 1.65, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-1-(1H-imidazol-5-ylsulfonyl)piperidine-3-carboxamide is sourced from PubChem (CID 5308846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).