1-(1H-imidazol-5-ylsulfonyl)-N-(4-methylcyclohexyl)piperidine-3-carboxamide

C16H26N4O3S — CID 20862165

IUPAC1-(1H-imidazol-5-ylsulfonyl)-N-(4-methylcyclohexyl)piperidine-3-carboxamide
SMILESCC1CCC(NC(=O)C2CCCN(S(=O)(=O)c3cnc[nH]3)C2)CC1
InChIInChI=1S/C16H26N4O3S/c1-12-4-6-14(7-5-12)19-16(21)13-3-2-8-20(10-13)24(22,23)15-9-17-11-18-15/h9,11-14H,2-8,10H2,1H3,(H,17,18)(H,19,21)
InChIKeyNTKWFXVCWLKVAJ-UHFFFAOYSA-N
MW354.48 g/mol
LogP1.51
Rot. Bonds4

About 1-(1H-imidazol-5-ylsulfonyl)-N-(4-methylcyclohexyl)piperidine-3-carboxamide

1-(1H-imidazol-5-ylsulfonyl)-N-(4-methylcyclohexyl)piperidine-3-carboxamide (PubChem CID 20862165) has the molecular formula C16H26N4O3S and a molecular weight of 354.48 g/mol. Its IUPAC name is 1-(1H-imidazol-5-ylsulfonyl)-N-(4-methylcyclohexyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(1H-imidazol-5-ylsulfonyl)-N-(4-methylcyclohexyl)piperidine-3-carboxamide
PubChem CID20862165
Molecular FormulaC16H26N4O3S
Molecular Weight354.48 g/mol
Exact Mass354.17
IUPAC Name1-(1H-imidazol-5-ylsulfonyl)-N-(4-methylcyclohexyl)piperidine-3-carboxamide
SMILESCC1CCC(NC(=O)C2CCCN(S(=O)(=O)c3cnc[nH]3)C2)CC1
InChIInChI=1S/C16H26N4O3S/c1-12-4-6-14(7-5-12)19-16(21)13-3-2-8-20(10-13)24(22,23)15-9-17-11-18-15/h9,11-14H,2-8,10H2,1H3,(H,17,18)(H,19,21)
InChIKeyNTKWFXVCWLKVAJ-UHFFFAOYSA-N
XLogP1.51
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 ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1H-imidazol-5-ylsulfonyl)-N-(4-methylcyclohexyl)piperidine-3-carboxamide?
The IUPAC name of 1-(1H-imidazol-5-ylsulfonyl)-N-(4-methylcyclohexyl)piperidine-3-carboxamide (CID 20862165) is 1-(1H-imidazol-5-ylsulfonyl)-N-(4-methylcyclohexyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(1H-imidazol-5-ylsulfonyl)-N-(4-methylcyclohexyl)piperidine-3-carboxamide?
The canonical SMILES for 1-(1H-imidazol-5-ylsulfonyl)-N-(4-methylcyclohexyl)piperidine-3-carboxamide is CC1CCC(NC(=O)C2CCCN(S(=O)(=O)c3cnc[nH]3)C2)CC1.
What is the InChIKey of 1-(1H-imidazol-5-ylsulfonyl)-N-(4-methylcyclohexyl)piperidine-3-carboxamide?
The InChIKey is NTKWFXVCWLKVAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O3S/c1-12-4-6-14(7-5-12)19-16(21)13-3-2-8-20(10-13)24(22,23)15-9-17-11-18-15/h9,11-14H,2-8,10H2,1H3,(H,17,18)(H,19,21).
What are the key properties of 1-(1H-imidazol-5-ylsulfonyl)-N-(4-methylcyclohexyl)piperidine-3-carboxamide?
1-(1H-imidazol-5-ylsulfonyl)-N-(4-methylcyclohexyl)piperidine-3-carboxamide has a molecular weight of 354.48 g/mol, XLogP of 1.51, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-imidazol-5-ylsulfonyl)-N-(4-methylcyclohexyl)piperidine-3-carboxamide is sourced from PubChem (CID 20862165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).