N-(2,3-dimethylcyclohexyl)-1-(1H-imidazol-5-ylsulfonyl)piperidine-4-carboxamide

C17H28N4O3S — CID 20856449

IUPACN-(2,3-dimethylcyclohexyl)-1-(1H-imidazol-5-ylsulfonyl)piperidine-4-carboxamide
SMILESCC1CCCC(NC(=O)C2CCN(S(=O)(=O)c3cnc[nH]3)CC2)C1C
InChIInChI=1S/C17H28N4O3S/c1-12-4-3-5-15(13(12)2)20-17(22)14-6-8-21(9-7-14)25(23,24)16-10-18-11-19-16/h10-15H,3-9H2,1-2H3,(H,18,19)(H,20,22)
InChIKeyYEIYLRPDHGTMMS-UHFFFAOYSA-N
MW368.50 g/mol
LogP1.75
Rot. Bonds4

About N-(2,3-dimethylcyclohexyl)-1-(1H-imidazol-5-ylsulfonyl)piperidine-4-carboxamide

N-(2,3-dimethylcyclohexyl)-1-(1H-imidazol-5-ylsulfonyl)piperidine-4-carboxamide (PubChem CID 20856449) has the molecular formula C17H28N4O3S and a molecular weight of 368.50 g/mol. Its IUPAC name is N-(2,3-dimethylcyclohexyl)-1-(1H-imidazol-5-ylsulfonyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2,3-dimethylcyclohexyl)-1-(1H-imidazol-5-ylsulfonyl)piperidine-4-carboxamide
PubChem CID20856449
Molecular FormulaC17H28N4O3S
Molecular Weight368.50 g/mol
Exact Mass368.19
IUPAC NameN-(2,3-dimethylcyclohexyl)-1-(1H-imidazol-5-ylsulfonyl)piperidine-4-carboxamide
SMILESCC1CCCC(NC(=O)C2CCN(S(=O)(=O)c3cnc[nH]3)CC2)C1C
InChIInChI=1S/C17H28N4O3S/c1-12-4-3-5-15(13(12)2)20-17(22)14-6-8-21(9-7-14)25(23,24)16-10-18-11-19-16/h10-15H,3-9H2,1-2H3,(H,18,19)(H,20,22)
InChIKeyYEIYLRPDHGTMMS-UHFFFAOYSA-N
XLogP1.75
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.50
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylcyclohexyl)-1-(1H-imidazol-5-ylsulfonyl)piperidine-4-carboxamide?
The IUPAC name of N-(2,3-dimethylcyclohexyl)-1-(1H-imidazol-5-ylsulfonyl)piperidine-4-carboxamide (CID 20856449) is N-(2,3-dimethylcyclohexyl)-1-(1H-imidazol-5-ylsulfonyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(2,3-dimethylcyclohexyl)-1-(1H-imidazol-5-ylsulfonyl)piperidine-4-carboxamide?
The canonical SMILES for N-(2,3-dimethylcyclohexyl)-1-(1H-imidazol-5-ylsulfonyl)piperidine-4-carboxamide is CC1CCCC(NC(=O)C2CCN(S(=O)(=O)c3cnc[nH]3)CC2)C1C.
What is the InChIKey of N-(2,3-dimethylcyclohexyl)-1-(1H-imidazol-5-ylsulfonyl)piperidine-4-carboxamide?
The InChIKey is YEIYLRPDHGTMMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O3S/c1-12-4-3-5-15(13(12)2)20-17(22)14-6-8-21(9-7-14)25(23,24)16-10-18-11-19-16/h10-15H,3-9H2,1-2H3,(H,18,19)(H,20,22).
What are the key properties of N-(2,3-dimethylcyclohexyl)-1-(1H-imidazol-5-ylsulfonyl)piperidine-4-carboxamide?
N-(2,3-dimethylcyclohexyl)-1-(1H-imidazol-5-ylsulfonyl)piperidine-4-carboxamide has a molecular weight of 368.50 g/mol, XLogP of 1.75, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylcyclohexyl)-1-(1H-imidazol-5-ylsulfonyl)piperidine-4-carboxamide is sourced from PubChem (CID 20856449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).