1-(1H-imidazol-5-ylsulfonyl)-N-(4-phenylbutan-2-yl)piperidine-4-carboxamide

C19H26N4O3S — CID 3240247

IUPAC1-(1H-imidazol-5-ylsulfonyl)-N-(4-phenylbutan-2-yl)piperidine-4-carboxamide
SMILESCC(CCc1ccccc1)NC(=O)C1CCN(S(=O)(=O)c2cnc[nH]2)CC1
InChIInChI=1S/C19H26N4O3S/c1-15(7-8-16-5-3-2-4-6-16)22-19(24)17-9-11-23(12-10-17)27(25,26)18-13-20-14-21-18/h2-6,13-15,17H,7-12H2,1H3,(H,20,21)(H,22,24)
InChIKeyARPQESZSTQGPRL-UHFFFAOYSA-N
MW390.51 g/mol
LogP1.95
Rot. Bonds7

About 1-(1H-imidazol-5-ylsulfonyl)-N-(4-phenylbutan-2-yl)piperidine-4-carboxamide

1-(1H-imidazol-5-ylsulfonyl)-N-(4-phenylbutan-2-yl)piperidine-4-carboxamide (PubChem CID 3240247) has the molecular formula C19H26N4O3S and a molecular weight of 390.51 g/mol. Its IUPAC name is 1-(1H-imidazol-5-ylsulfonyl)-N-(4-phenylbutan-2-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(1H-imidazol-5-ylsulfonyl)-N-(4-phenylbutan-2-yl)piperidine-4-carboxamide
PubChem CID3240247
Molecular FormulaC19H26N4O3S
Molecular Weight390.51 g/mol
Exact Mass390.17
IUPAC Name1-(1H-imidazol-5-ylsulfonyl)-N-(4-phenylbutan-2-yl)piperidine-4-carboxamide
SMILESCC(CCc1ccccc1)NC(=O)C1CCN(S(=O)(=O)c2cnc[nH]2)CC1
InChIInChI=1S/C19H26N4O3S/c1-15(7-8-16-5-3-2-4-6-16)22-19(24)17-9-11-23(12-10-17)27(25,26)18-13-20-14-21-18/h2-6,13-15,17H,7-12H2,1H3,(H,20,21)(H,22,24)
InChIKeyARPQESZSTQGPRL-UHFFFAOYSA-N
XLogP1.95
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.51
LogP ≤ 51.95
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-phenylbutan-2-yl)piperidine-4-carboxamide?
The IUPAC name of 1-(1H-imidazol-5-ylsulfonyl)-N-(4-phenylbutan-2-yl)piperidine-4-carboxamide (CID 3240247) is 1-(1H-imidazol-5-ylsulfonyl)-N-(4-phenylbutan-2-yl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(1H-imidazol-5-ylsulfonyl)-N-(4-phenylbutan-2-yl)piperidine-4-carboxamide?
The canonical SMILES for 1-(1H-imidazol-5-ylsulfonyl)-N-(4-phenylbutan-2-yl)piperidine-4-carboxamide is CC(CCc1ccccc1)NC(=O)C1CCN(S(=O)(=O)c2cnc[nH]2)CC1.
What is the InChIKey of 1-(1H-imidazol-5-ylsulfonyl)-N-(4-phenylbutan-2-yl)piperidine-4-carboxamide?
The InChIKey is ARPQESZSTQGPRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O3S/c1-15(7-8-16-5-3-2-4-6-16)22-19(24)17-9-11-23(12-10-17)27(25,26)18-13-20-14-21-18/h2-6,13-15,17H,7-12H2,1H3,(H,20,21)(H,22,24).
What are the key properties of 1-(1H-imidazol-5-ylsulfonyl)-N-(4-phenylbutan-2-yl)piperidine-4-carboxamide?
1-(1H-imidazol-5-ylsulfonyl)-N-(4-phenylbutan-2-yl)piperidine-4-carboxamide has a molecular weight of 390.51 g/mol, XLogP of 1.95, 7 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-phenylbutan-2-yl)piperidine-4-carboxamide is sourced from PubChem (CID 3240247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).