4-(1H-imidazol-5-yl)-N-methyl-N-(4-methylsulfonylphenyl)piperidine-1-carboxamide

C17H22N4O3S — CID 100641520

IUPAC4-(1H-imidazol-5-yl)-N-methyl-N-(4-methylsulfonylphenyl)piperidine-1-carboxamide
SMILESCN(C(=O)N1CCC(c2cnc[nH]2)CC1)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C17H22N4O3S/c1-20(14-3-5-15(6-4-14)25(2,23)24)17(22)21-9-7-13(8-10-21)16-11-18-12-19-16/h3-6,11-13H,7-10H2,1-2H3,(H,18,19)
InChIKeyOCBXYUHLWAOVBS-UHFFFAOYSA-N
MW362.46 g/mol
LogP2.25
Rot. Bonds3

About 4-(1H-imidazol-5-yl)-N-methyl-N-(4-methylsulfonylphenyl)piperidine-1-carboxamide

4-(1H-imidazol-5-yl)-N-methyl-N-(4-methylsulfonylphenyl)piperidine-1-carboxamide (PubChem CID 100641520) has the molecular formula C17H22N4O3S and a molecular weight of 362.46 g/mol. Its IUPAC name is 4-(1H-imidazol-5-yl)-N-methyl-N-(4-methylsulfonylphenyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(1H-imidazol-5-yl)-N-methyl-N-(4-methylsulfonylphenyl)piperidine-1-carboxamide
PubChem CID100641520
Molecular FormulaC17H22N4O3S
Molecular Weight362.46 g/mol
Exact Mass362.14
IUPAC Name4-(1H-imidazol-5-yl)-N-methyl-N-(4-methylsulfonylphenyl)piperidine-1-carboxamide
SMILESCN(C(=O)N1CCC(c2cnc[nH]2)CC1)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C17H22N4O3S/c1-20(14-3-5-15(6-4-14)25(2,23)24)17(22)21-9-7-13(8-10-21)16-11-18-12-19-16/h3-6,11-13H,7-10H2,1-2H3,(H,18,19)
InChIKeyOCBXYUHLWAOVBS-UHFFFAOYSA-N
XLogP2.25
TPSA86.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.46
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(1H-imidazol-5-yl)-N-methyl-N-(4-methylsulfonylphenyl)piperidine-1-carboxamide?
The IUPAC name of 4-(1H-imidazol-5-yl)-N-methyl-N-(4-methylsulfonylphenyl)piperidine-1-carboxamide (CID 100641520) is 4-(1H-imidazol-5-yl)-N-methyl-N-(4-methylsulfonylphenyl)piperidine-1-carboxamide.
What is the SMILES notation for 4-(1H-imidazol-5-yl)-N-methyl-N-(4-methylsulfonylphenyl)piperidine-1-carboxamide?
The canonical SMILES for 4-(1H-imidazol-5-yl)-N-methyl-N-(4-methylsulfonylphenyl)piperidine-1-carboxamide is CN(C(=O)N1CCC(c2cnc[nH]2)CC1)c1ccc(S(C)(=O)=O)cc1.
What is the InChIKey of 4-(1H-imidazol-5-yl)-N-methyl-N-(4-methylsulfonylphenyl)piperidine-1-carboxamide?
The InChIKey is OCBXYUHLWAOVBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O3S/c1-20(14-3-5-15(6-4-14)25(2,23)24)17(22)21-9-7-13(8-10-21)16-11-18-12-19-16/h3-6,11-13H,7-10H2,1-2H3,(H,18,19).
What are the key properties of 4-(1H-imidazol-5-yl)-N-methyl-N-(4-methylsulfonylphenyl)piperidine-1-carboxamide?
4-(1H-imidazol-5-yl)-N-methyl-N-(4-methylsulfonylphenyl)piperidine-1-carboxamide has a molecular weight of 362.46 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-imidazol-5-yl)-N-methyl-N-(4-methylsulfonylphenyl)piperidine-1-carboxamide is sourced from PubChem (CID 100641520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).