6-oxo-1-(2-phenylethyl)-N-(3-pyrazol-1-ylpropyl)piperidine-3-carboxamide

C20H26N4O2 — CID 24791087

IUPAC6-oxo-1-(2-phenylethyl)-N-(3-pyrazol-1-ylpropyl)piperidine-3-carboxamide
SMILESO=C(NCCCn1cccn1)C1CCC(=O)N(CCc2ccccc2)C1
InChIInChI=1S/C20H26N4O2/c25-19-9-8-18(16-23(19)15-10-17-6-2-1-3-7-17)20(26)21-11-4-13-24-14-5-12-22-24/h1-3,5-7,12,14,18H,4,8-11,13,15-16H2,(H,21,26)
InChIKeyUOVHUXIOEBUAQV-UHFFFAOYSA-N
MW354.45 g/mol
LogP1.87
Rot. Bonds8

About 6-oxo-1-(2-phenylethyl)-N-(3-pyrazol-1-ylpropyl)piperidine-3-carboxamide

6-oxo-1-(2-phenylethyl)-N-(3-pyrazol-1-ylpropyl)piperidine-3-carboxamide (PubChem CID 24791087) has the molecular formula C20H26N4O2 and a molecular weight of 354.45 g/mol. Its IUPAC name is 6-oxo-1-(2-phenylethyl)-N-(3-pyrazol-1-ylpropyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name6-oxo-1-(2-phenylethyl)-N-(3-pyrazol-1-ylpropyl)piperidine-3-carboxamide
PubChem CID24791087
Molecular FormulaC20H26N4O2
Molecular Weight354.45 g/mol
Exact Mass354.21
IUPAC Name6-oxo-1-(2-phenylethyl)-N-(3-pyrazol-1-ylpropyl)piperidine-3-carboxamide
SMILESO=C(NCCCn1cccn1)C1CCC(=O)N(CCc2ccccc2)C1
InChIInChI=1S/C20H26N4O2/c25-19-9-8-18(16-23(19)15-10-17-6-2-1-3-7-17)20(26)21-11-4-13-24-14-5-12-22-24/h1-3,5-7,12,14,18H,4,8-11,13,15-16H2,(H,21,26)
InChIKeyUOVHUXIOEBUAQV-UHFFFAOYSA-N
XLogP1.87
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3R)-4-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-3-(1H-pyrazol-1-ylmethyl)-1,4-diazepan-2-one
CID 23646452
N-(4-fluorophenyl)-1-[3-(1-methyl-1H-pyrazol-4-yl)propanoyl]-3-piperidinamine
CID 24819297
N-(2-fluorobenzyl)-3-{1-[3-(5-methyl-1H-pyrazol-1-yl)propanoyl]-3-piperidinyl}propanamide
CID 16190899
N-(3,4-difluorobenzyl)-3-{1-[3-(1-methyl-1H-pyrazol-4-yl)propanoyl]piperidin-3-yl}propanamide
CID 16191462
N-ethyl-2-[1-(4-fluorobenzyl)-3-oxo-2-piperazinyl]-N-[2-(1H-pyrazol-1-yl)ethyl]acetamide
CID 16191808
1-(2,3-difluorobenzyl)-N-[3-(1H-pyrazol-1-yl)phenyl]-3-piperidinecarboxamide
CID 24790064
1-[3-[Methyl(2-phenylethyl)amino]piperidin-1-yl]-2-pyrazol-1-ylethanone
CID 24790635
N-(4-isopropylphenyl)-1-[3-(1-methyl-1H-pyrazol-4-yl)propanoyl]-3-piperidinamine
CID 24793068
1-[2-(3-fluorophenyl)ethyl]-6-keto-N-[2-(1H-pyrazol-4-yl)ethyl]nipecotamide
CID 24794338
N-ethyl-1-[2-(3-fluorophenyl)ethyl]-6-oxo-N-[2-(1H-pyrazol-1-yl)ethyl]-3-piperidinecarboxamide
CID 24816994
N-[4-(3-fluorophenyl)phenyl]-1-[(1-methylpyrazol-4-yl)methyl]piperidine-3-carboxamide
CID 24817692
1-[(2-fluorophenyl)methyl]-6-oxo-N-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidine-3-carboxamide
CID 24819201

Frequently Asked Questions

What is the IUPAC name of 6-oxo-1-(2-phenylethyl)-N-(3-pyrazol-1-ylpropyl)piperidine-3-carboxamide?
The IUPAC name of 6-oxo-1-(2-phenylethyl)-N-(3-pyrazol-1-ylpropyl)piperidine-3-carboxamide (CID 24791087) is 6-oxo-1-(2-phenylethyl)-N-(3-pyrazol-1-ylpropyl)piperidine-3-carboxamide.
What is the SMILES notation for 6-oxo-1-(2-phenylethyl)-N-(3-pyrazol-1-ylpropyl)piperidine-3-carboxamide?
The canonical SMILES for 6-oxo-1-(2-phenylethyl)-N-(3-pyrazol-1-ylpropyl)piperidine-3-carboxamide is O=C(NCCCn1cccn1)C1CCC(=O)N(CCc2ccccc2)C1.
What is the InChIKey of 6-oxo-1-(2-phenylethyl)-N-(3-pyrazol-1-ylpropyl)piperidine-3-carboxamide?
The InChIKey is UOVHUXIOEBUAQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O2/c25-19-9-8-18(16-23(19)15-10-17-6-2-1-3-7-17)20(26)21-11-4-13-24-14-5-12-22-24/h1-3,5-7,12,14,18H,4,8-11,13,15-16H2,(H,21,26).
What are the key properties of 6-oxo-1-(2-phenylethyl)-N-(3-pyrazol-1-ylpropyl)piperidine-3-carboxamide?
6-oxo-1-(2-phenylethyl)-N-(3-pyrazol-1-ylpropyl)piperidine-3-carboxamide has a molecular weight of 354.45 g/mol, XLogP of 1.87, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-1-(2-phenylethyl)-N-(3-pyrazol-1-ylpropyl)piperidine-3-carboxamide is sourced from PubChem (CID 24791087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).