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

C18H24N4O3S — CID 20862158

IUPAC1-(1H-imidazol-5-ylsulfonyl)-N-(3-phenylpropyl)piperidine-3-carboxamide
SMILESO=C(NCCCc1ccccc1)C1CCCN(S(=O)(=O)c2cnc[nH]2)C1
InChIInChI=1S/C18H24N4O3S/c23-18(20-10-4-8-15-6-2-1-3-7-15)16-9-5-11-22(13-16)26(24,25)17-12-19-14-21-17/h1-3,6-7,12,14,16H,4-5,8-11,13H2,(H,19,21)(H,20,23)
InChIKeyPSAOHWPIXGJWBG-UHFFFAOYSA-N
MW376.48 g/mol
LogP1.56
Rot. Bonds7

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

1-(1H-imidazol-5-ylsulfonyl)-N-(3-phenylpropyl)piperidine-3-carboxamide (PubChem CID 20862158) has the molecular formula C18H24N4O3S and a molecular weight of 376.48 g/mol. Its IUPAC name is 1-(1H-imidazol-5-ylsulfonyl)-N-(3-phenylpropyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(1H-imidazol-5-ylsulfonyl)-N-(3-phenylpropyl)piperidine-3-carboxamide
PubChem CID20862158
Molecular FormulaC18H24N4O3S
Molecular Weight376.48 g/mol
Exact Mass376.16
IUPAC Name1-(1H-imidazol-5-ylsulfonyl)-N-(3-phenylpropyl)piperidine-3-carboxamide
SMILESO=C(NCCCc1ccccc1)C1CCCN(S(=O)(=O)c2cnc[nH]2)C1
InChIInChI=1S/C18H24N4O3S/c23-18(20-10-4-8-15-6-2-1-3-7-15)16-9-5-11-22(13-16)26(24,25)17-12-19-14-21-17/h1-3,6-7,12,14,16H,4-5,8-11,13H2,(H,19,21)(H,20,23)
InChIKeyPSAOHWPIXGJWBG-UHFFFAOYSA-N
XLogP1.56
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.48
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(1H-imidazol-5-ylsulfonyl)-N-(3-phenylpropyl)piperidine-3-carboxamide?
The IUPAC name of 1-(1H-imidazol-5-ylsulfonyl)-N-(3-phenylpropyl)piperidine-3-carboxamide (CID 20862158) is 1-(1H-imidazol-5-ylsulfonyl)-N-(3-phenylpropyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(1H-imidazol-5-ylsulfonyl)-N-(3-phenylpropyl)piperidine-3-carboxamide?
The canonical SMILES for 1-(1H-imidazol-5-ylsulfonyl)-N-(3-phenylpropyl)piperidine-3-carboxamide is O=C(NCCCc1ccccc1)C1CCCN(S(=O)(=O)c2cnc[nH]2)C1.
What is the InChIKey of 1-(1H-imidazol-5-ylsulfonyl)-N-(3-phenylpropyl)piperidine-3-carboxamide?
The InChIKey is PSAOHWPIXGJWBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O3S/c23-18(20-10-4-8-15-6-2-1-3-7-15)16-9-5-11-22(13-16)26(24,25)17-12-19-14-21-17/h1-3,6-7,12,14,16H,4-5,8-11,13H2,(H,19,21)(H,20,23).
What are the key properties of 1-(1H-imidazol-5-ylsulfonyl)-N-(3-phenylpropyl)piperidine-3-carboxamide?
1-(1H-imidazol-5-ylsulfonyl)-N-(3-phenylpropyl)piperidine-3-carboxamide has a molecular weight of 376.48 g/mol, XLogP of 1.56, 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-(3-phenylpropyl)piperidine-3-carboxamide is sourced from PubChem (CID 20862158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).