1-[[3-(cyclohexylmethyl)-2-methylsulfonylimidazol-4-yl]methyl]piperidine-3-carboxamide

C18H30N4O3S — CID 45199276

IUPAC1-[[3-(cyclohexylmethyl)-2-methylsulfonylimidazol-4-yl]methyl]piperidine-3-carboxamide
SMILESCS(=O)(=O)c1ncc(CN2CCCC(C(N)=O)C2)n1CC1CCCCC1
InChIInChI=1S/C18H30N4O3S/c1-26(24,25)18-20-10-16(22(18)11-14-6-3-2-4-7-14)13-21-9-5-8-15(12-21)17(19)23/h10,14-15H,2-9,11-13H2,1H3,(H2,19,23)
InChIKeySYKRPPLFKLULEJ-UHFFFAOYSA-N
MW382.53 g/mol
LogP1.56
Rot. Bonds6

About 1-[[3-(cyclohexylmethyl)-2-methylsulfonylimidazol-4-yl]methyl]piperidine-3-carboxamide

1-[[3-(cyclohexylmethyl)-2-methylsulfonylimidazol-4-yl]methyl]piperidine-3-carboxamide (PubChem CID 45199276) has the molecular formula C18H30N4O3S and a molecular weight of 382.53 g/mol. Its IUPAC name is 1-[[3-(cyclohexylmethyl)-2-methylsulfonylimidazol-4-yl]methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[[3-(cyclohexylmethyl)-2-methylsulfonylimidazol-4-yl]methyl]piperidine-3-carboxamide
PubChem CID45199276
Molecular FormulaC18H30N4O3S
Molecular Weight382.53 g/mol
Exact Mass382.20
IUPAC Name1-[[3-(cyclohexylmethyl)-2-methylsulfonylimidazol-4-yl]methyl]piperidine-3-carboxamide
SMILESCS(=O)(=O)c1ncc(CN2CCCC(C(N)=O)C2)n1CC1CCCCC1
InChIInChI=1S/C18H30N4O3S/c1-26(24,25)18-20-10-16(22(18)11-14-6-3-2-4-7-14)13-21-9-5-8-15(12-21)17(19)23/h10,14-15H,2-9,11-13H2,1H3,(H2,19,23)
InChIKeySYKRPPLFKLULEJ-UHFFFAOYSA-N
XLogP1.56
TPSA98.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.53
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[[3-(cyclohexylmethyl)-2-methylsulfonylimidazol-4-yl]methyl]piperidine-3-carboxamide?
The IUPAC name of 1-[[3-(cyclohexylmethyl)-2-methylsulfonylimidazol-4-yl]methyl]piperidine-3-carboxamide (CID 45199276) is 1-[[3-(cyclohexylmethyl)-2-methylsulfonylimidazol-4-yl]methyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-[[3-(cyclohexylmethyl)-2-methylsulfonylimidazol-4-yl]methyl]piperidine-3-carboxamide?
The canonical SMILES for 1-[[3-(cyclohexylmethyl)-2-methylsulfonylimidazol-4-yl]methyl]piperidine-3-carboxamide is CS(=O)(=O)c1ncc(CN2CCCC(C(N)=O)C2)n1CC1CCCCC1.
What is the InChIKey of 1-[[3-(cyclohexylmethyl)-2-methylsulfonylimidazol-4-yl]methyl]piperidine-3-carboxamide?
The InChIKey is SYKRPPLFKLULEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4O3S/c1-26(24,25)18-20-10-16(22(18)11-14-6-3-2-4-7-14)13-21-9-5-8-15(12-21)17(19)23/h10,14-15H,2-9,11-13H2,1H3,(H2,19,23).
What are the key properties of 1-[[3-(cyclohexylmethyl)-2-methylsulfonylimidazol-4-yl]methyl]piperidine-3-carboxamide?
1-[[3-(cyclohexylmethyl)-2-methylsulfonylimidazol-4-yl]methyl]piperidine-3-carboxamide has a molecular weight of 382.53 g/mol, XLogP of 1.56, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(cyclohexylmethyl)-2-methylsulfonylimidazol-4-yl]methyl]piperidine-3-carboxamide is sourced from PubChem (CID 45199276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).