1-(1-ethylimidazol-4-yl)sulfonyl-N-phenylpiperidine-4-carboxamide

C17H22N4O3S — CID 53085516

IUPAC1-(1-ethylimidazol-4-yl)sulfonyl-N-phenylpiperidine-4-carboxamide
SMILESCCn1cnc(S(=O)(=O)N2CCC(C(=O)Nc3ccccc3)CC2)c1
InChIInChI=1S/C17H22N4O3S/c1-2-20-12-16(18-13-20)25(23,24)21-10-8-14(9-11-21)17(22)19-15-6-4-3-5-7-15/h3-7,12-14H,2,8-11H2,1H3,(H,19,22)
InChIKeyBKTWQPRWXMLMSI-UHFFFAOYSA-N
MW362.46 g/mol
LogP1.94
Rot. Bonds5

About 1-(1-ethylimidazol-4-yl)sulfonyl-N-phenylpiperidine-4-carboxamide

1-(1-ethylimidazol-4-yl)sulfonyl-N-phenylpiperidine-4-carboxamide (PubChem CID 53085516) has the molecular formula C17H22N4O3S and a molecular weight of 362.46 g/mol. Its IUPAC name is 1-(1-ethylimidazol-4-yl)sulfonyl-N-phenylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-(1-ethylimidazol-4-yl)sulfonyl-N-phenylpiperidine-4-carboxamide
PubChem CID53085516
Molecular FormulaC17H22N4O3S
Molecular Weight362.46 g/mol
Exact Mass362.14
IUPAC Name1-(1-ethylimidazol-4-yl)sulfonyl-N-phenylpiperidine-4-carboxamide
SMILESCCn1cnc(S(=O)(=O)N2CCC(C(=O)Nc3ccccc3)CC2)c1
InChIInChI=1S/C17H22N4O3S/c1-2-20-12-16(18-13-20)25(23,24)21-10-8-14(9-11-21)17(22)19-15-6-4-3-5-7-15/h3-7,12-14H,2,8-11H2,1H3,(H,19,22)
InChIKeyBKTWQPRWXMLMSI-UHFFFAOYSA-N
XLogP1.94
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.46
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1-ethylimidazol-4-yl)sulfonyl-N-[4-(4-methylpiperidin-1-yl)phenyl]piperidine-4-carboxamide
CID 53029147
1-(1-ethylimidazol-4-yl)sulfonyl-N-(2-phenylethyl)piperidine-4-carboxamide
CID 53085488
1-(1-ethylimidazol-4-yl)sulfonyl-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 53085487
N-[(2S)-butan-2-yl]-1-(1-ethylimidazol-4-yl)sulfonylpiperidine-4-carboxamide
CID 93068990
N-[(4-bromophenyl)methyl]-1-(1-ethylimidazol-4-yl)sulfonylpiperidine-4-carboxamide
CID 53085528
1-(1-methylimidazol-4-yl)sulfonyl-N-(4-methylphenyl)piperidine-4-carboxamide
CID 53085439
N-(4-ethoxyphenyl)-1-(1-methylimidazol-4-yl)sulfonylpiperidine-4-carboxamide
CID 53085419
(3S)-1-(1-ethylimidazol-4-yl)sulfonyl-N-(2-ethylphenyl)piperidine-3-carboxamide
CID 95073306
(3S)-1-(1-ethylimidazol-4-yl)sulfonyl-N-[3-(trifluoromethyl)phenyl]piperidine-3-carboxamide
CID 95073269
N-(4-ethylphenyl)-1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidine-4-carboxamide
CID 53085553
1-(1-ethylimidazol-4-yl)sulfonyl-N-(2-fluorophenyl)piperidine-3-carboxamide
CID 53085645
N-(3,4-dimethylphenyl)-1-(1-ethylimidazol-4-yl)sulfonylpiperidine-3-carboxamide
CID 53085666

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylimidazol-4-yl)sulfonyl-N-phenylpiperidine-4-carboxamide?
The IUPAC name of 1-(1-ethylimidazol-4-yl)sulfonyl-N-phenylpiperidine-4-carboxamide (CID 53085516) is 1-(1-ethylimidazol-4-yl)sulfonyl-N-phenylpiperidine-4-carboxamide.
What is the SMILES notation for 1-(1-ethylimidazol-4-yl)sulfonyl-N-phenylpiperidine-4-carboxamide?
The canonical SMILES for 1-(1-ethylimidazol-4-yl)sulfonyl-N-phenylpiperidine-4-carboxamide is CCn1cnc(S(=O)(=O)N2CCC(C(=O)Nc3ccccc3)CC2)c1.
What is the InChIKey of 1-(1-ethylimidazol-4-yl)sulfonyl-N-phenylpiperidine-4-carboxamide?
The InChIKey is BKTWQPRWXMLMSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O3S/c1-2-20-12-16(18-13-20)25(23,24)21-10-8-14(9-11-21)17(22)19-15-6-4-3-5-7-15/h3-7,12-14H,2,8-11H2,1H3,(H,19,22).
What are the key properties of 1-(1-ethylimidazol-4-yl)sulfonyl-N-phenylpiperidine-4-carboxamide?
1-(1-ethylimidazol-4-yl)sulfonyl-N-phenylpiperidine-4-carboxamide has a molecular weight of 362.46 g/mol, XLogP of 1.94, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylimidazol-4-yl)sulfonyl-N-phenylpiperidine-4-carboxamide is sourced from PubChem (CID 53085516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).