1-[(4-chlorophenyl)methyl]-6-oxo-N-(3-pyridin-4-ylpropyl)piperidine-3-carboxamide

C21H24ClN3O2 — CID 24792128

IUPAC1-[(4-chlorophenyl)methyl]-6-oxo-N-(3-pyridin-4-ylpropyl)piperidine-3-carboxamide
SMILESO=C(NCCCc1ccncc1)C1CCC(=O)N(Cc2ccc(Cl)cc2)C1
InChIInChI=1S/C21H24ClN3O2/c22-19-6-3-17(4-7-19)14-25-15-18(5-8-20(25)26)21(27)24-11-1-2-16-9-12-23-13-10-16/h3-4,6-7,9-10,12-13,18H,1-2,5,8,11,14-15H2,(H,24,27)
InChIKeyFIRPBQDOHWLAKQ-UHFFFAOYSA-N
MW385.90 g/mol
LogP3.22
Rot. Bonds7

About 1-[(4-chlorophenyl)methyl]-6-oxo-N-(3-pyridin-4-ylpropyl)piperidine-3-carboxamide

1-[(4-chlorophenyl)methyl]-6-oxo-N-(3-pyridin-4-ylpropyl)piperidine-3-carboxamide (PubChem CID 24792128) has the molecular formula C21H24ClN3O2 and a molecular weight of 385.90 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-6-oxo-N-(3-pyridin-4-ylpropyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]-6-oxo-N-(3-pyridin-4-ylpropyl)piperidine-3-carboxamide
PubChem CID24792128
Molecular FormulaC21H24ClN3O2
Molecular Weight385.90 g/mol
Exact Mass385.16
IUPAC Name1-[(4-chlorophenyl)methyl]-6-oxo-N-(3-pyridin-4-ylpropyl)piperidine-3-carboxamide
SMILESO=C(NCCCc1ccncc1)C1CCC(=O)N(Cc2ccc(Cl)cc2)C1
InChIInChI=1S/C21H24ClN3O2/c22-19-6-3-17(4-7-19)14-25-15-18(5-8-20(25)26)21(27)24-11-1-2-16-9-12-23-13-10-16/h3-4,6-7,9-10,12-13,18H,1-2,5,8,11,14-15H2,(H,24,27)
InChIKeyFIRPBQDOHWLAKQ-UHFFFAOYSA-N
XLogP3.22
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.90
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-[(4-chlorophenyl)methyl]-6-oxo-N-(3-pyridin-4-ylpropyl)piperidine-3-carboxamide?
The IUPAC name of 1-[(4-chlorophenyl)methyl]-6-oxo-N-(3-pyridin-4-ylpropyl)piperidine-3-carboxamide (CID 24792128) is 1-[(4-chlorophenyl)methyl]-6-oxo-N-(3-pyridin-4-ylpropyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]-6-oxo-N-(3-pyridin-4-ylpropyl)piperidine-3-carboxamide?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]-6-oxo-N-(3-pyridin-4-ylpropyl)piperidine-3-carboxamide is O=C(NCCCc1ccncc1)C1CCC(=O)N(Cc2ccc(Cl)cc2)C1.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]-6-oxo-N-(3-pyridin-4-ylpropyl)piperidine-3-carboxamide?
The InChIKey is FIRPBQDOHWLAKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClN3O2/c22-19-6-3-17(4-7-19)14-25-15-18(5-8-20(25)26)21(27)24-11-1-2-16-9-12-23-13-10-16/h3-4,6-7,9-10,12-13,18H,1-2,5,8,11,14-15H2,(H,24,27).
What are the key properties of 1-[(4-chlorophenyl)methyl]-6-oxo-N-(3-pyridin-4-ylpropyl)piperidine-3-carboxamide?
1-[(4-chlorophenyl)methyl]-6-oxo-N-(3-pyridin-4-ylpropyl)piperidine-3-carboxamide has a molecular weight of 385.90 g/mol, XLogP of 3.22, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methyl]-6-oxo-N-(3-pyridin-4-ylpropyl)piperidine-3-carboxamide is sourced from PubChem (CID 24792128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).