1-(1H-imidazol-5-ylsulfonyl)-N-(2-phenylethyl)piperidine-3-carboxamide

C17H22N4O3S — CID 5307129

IUPAC1-(1H-imidazol-5-ylsulfonyl)-N-(2-phenylethyl)piperidine-3-carboxamide
SMILESO=C(NCCc1ccccc1)C1CCCN(S(=O)(=O)c2cnc[nH]2)C1
InChIInChI=1S/C17H22N4O3S/c22-17(19-9-8-14-5-2-1-3-6-14)15-7-4-10-21(12-15)25(23,24)16-11-18-13-20-16/h1-3,5-6,11,13,15H,4,7-10,12H2,(H,18,20)(H,19,22)
InChIKeyRQWCHKWPALPAMV-UHFFFAOYSA-N
MW362.46 g/mol
LogP1.17
Rot. Bonds6

About 1-(1H-imidazol-5-ylsulfonyl)-N-(2-phenylethyl)piperidine-3-carboxamide

1-(1H-imidazol-5-ylsulfonyl)-N-(2-phenylethyl)piperidine-3-carboxamide (PubChem CID 5307129) has the molecular formula C17H22N4O3S and a molecular weight of 362.46 g/mol. Its IUPAC name is 1-(1H-imidazol-5-ylsulfonyl)-N-(2-phenylethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(1H-imidazol-5-ylsulfonyl)-N-(2-phenylethyl)piperidine-3-carboxamide
PubChem CID5307129
Molecular FormulaC17H22N4O3S
Molecular Weight362.46 g/mol
Exact Mass362.14
IUPAC Name1-(1H-imidazol-5-ylsulfonyl)-N-(2-phenylethyl)piperidine-3-carboxamide
SMILESO=C(NCCc1ccccc1)C1CCCN(S(=O)(=O)c2cnc[nH]2)C1
InChIInChI=1S/C17H22N4O3S/c22-17(19-9-8-14-5-2-1-3-6-14)15-7-4-10-21(12-15)25(23,24)16-11-18-13-20-16/h1-3,5-6,11,13,15H,4,7-10,12H2,(H,18,20)(H,19,22)
InChIKeyRQWCHKWPALPAMV-UHFFFAOYSA-N
XLogP1.17
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.46
LogP ≤ 51.17
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-(2-phenylethyl)piperidine-3-carboxamide?
The IUPAC name of 1-(1H-imidazol-5-ylsulfonyl)-N-(2-phenylethyl)piperidine-3-carboxamide (CID 5307129) is 1-(1H-imidazol-5-ylsulfonyl)-N-(2-phenylethyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(1H-imidazol-5-ylsulfonyl)-N-(2-phenylethyl)piperidine-3-carboxamide?
The canonical SMILES for 1-(1H-imidazol-5-ylsulfonyl)-N-(2-phenylethyl)piperidine-3-carboxamide is O=C(NCCc1ccccc1)C1CCCN(S(=O)(=O)c2cnc[nH]2)C1.
What is the InChIKey of 1-(1H-imidazol-5-ylsulfonyl)-N-(2-phenylethyl)piperidine-3-carboxamide?
The InChIKey is RQWCHKWPALPAMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O3S/c22-17(19-9-8-14-5-2-1-3-6-14)15-7-4-10-21(12-15)25(23,24)16-11-18-13-20-16/h1-3,5-6,11,13,15H,4,7-10,12H2,(H,18,20)(H,19,22).
What are the key properties of 1-(1H-imidazol-5-ylsulfonyl)-N-(2-phenylethyl)piperidine-3-carboxamide?
1-(1H-imidazol-5-ylsulfonyl)-N-(2-phenylethyl)piperidine-3-carboxamide has a molecular weight of 362.46 g/mol, XLogP of 1.17, 6 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-(2-phenylethyl)piperidine-3-carboxamide is sourced from PubChem (CID 5307129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).