N-(2-hydroxy-2-prop-2-enylpent-4-enyl)-6-oxo-1-(3-phenylpropyl)piperidine-3-carboxamide

C23H32N2O3 — CID 23723653

IUPACN-(2-hydroxy-2-prop-2-enylpent-4-enyl)-6-oxo-1-(3-phenylpropyl)piperidine-3-carboxamide
SMILESC=CCC(O)(CC=C)CNC(=O)C1CCC(=O)N(CCCc2ccccc2)C1
InChIInChI=1S/C23H32N2O3/c1-3-14-23(28,15-4-2)18-24-22(27)20-12-13-21(26)25(17-20)16-8-11-19-9-6-5-7-10-19/h3-7,9-10,20,28H,1-2,8,11-18H2,(H,24,27)
InChIKeyRLPNXCACELPNGZ-UHFFFAOYSA-N
MW384.52 g/mol
LogP2.86
Rot. Bonds11

About N-(2-hydroxy-2-prop-2-enylpent-4-enyl)-6-oxo-1-(3-phenylpropyl)piperidine-3-carboxamide

N-(2-hydroxy-2-prop-2-enylpent-4-enyl)-6-oxo-1-(3-phenylpropyl)piperidine-3-carboxamide (PubChem CID 23723653) has the molecular formula C23H32N2O3 and a molecular weight of 384.52 g/mol. Its IUPAC name is N-(2-hydroxy-2-prop-2-enylpent-4-enyl)-6-oxo-1-(3-phenylpropyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-prop-2-enylpent-4-enyl)-6-oxo-1-(3-phenylpropyl)piperidine-3-carboxamide
PubChem CID23723653
Molecular FormulaC23H32N2O3
Molecular Weight384.52 g/mol
Exact Mass384.24
IUPAC NameN-(2-hydroxy-2-prop-2-enylpent-4-enyl)-6-oxo-1-(3-phenylpropyl)piperidine-3-carboxamide
SMILESC=CCC(O)(CC=C)CNC(=O)C1CCC(=O)N(CCCc2ccccc2)C1
InChIInChI=1S/C23H32N2O3/c1-3-14-23(28,15-4-2)18-24-22(27)20-12-13-21(26)25(17-20)16-8-11-19-9-6-5-7-10-19/h3-7,9-10,20,28H,1-2,8,11-18H2,(H,24,27)
InChIKeyRLPNXCACELPNGZ-UHFFFAOYSA-N
XLogP2.86
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.52
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-prop-2-enylpent-4-enyl)-6-oxo-1-(3-phenylpropyl)piperidine-3-carboxamide?
The IUPAC name of N-(2-hydroxy-2-prop-2-enylpent-4-enyl)-6-oxo-1-(3-phenylpropyl)piperidine-3-carboxamide (CID 23723653) is N-(2-hydroxy-2-prop-2-enylpent-4-enyl)-6-oxo-1-(3-phenylpropyl)piperidine-3-carboxamide.
What is the SMILES notation for N-(2-hydroxy-2-prop-2-enylpent-4-enyl)-6-oxo-1-(3-phenylpropyl)piperidine-3-carboxamide?
The canonical SMILES for N-(2-hydroxy-2-prop-2-enylpent-4-enyl)-6-oxo-1-(3-phenylpropyl)piperidine-3-carboxamide is C=CCC(O)(CC=C)CNC(=O)C1CCC(=O)N(CCCc2ccccc2)C1.
What is the InChIKey of N-(2-hydroxy-2-prop-2-enylpent-4-enyl)-6-oxo-1-(3-phenylpropyl)piperidine-3-carboxamide?
The InChIKey is RLPNXCACELPNGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N2O3/c1-3-14-23(28,15-4-2)18-24-22(27)20-12-13-21(26)25(17-20)16-8-11-19-9-6-5-7-10-19/h3-7,9-10,20,28H,1-2,8,11-18H2,(H,24,27).
What are the key properties of N-(2-hydroxy-2-prop-2-enylpent-4-enyl)-6-oxo-1-(3-phenylpropyl)piperidine-3-carboxamide?
N-(2-hydroxy-2-prop-2-enylpent-4-enyl)-6-oxo-1-(3-phenylpropyl)piperidine-3-carboxamide has a molecular weight of 384.52 g/mol, XLogP of 2.86, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-prop-2-enylpent-4-enyl)-6-oxo-1-(3-phenylpropyl)piperidine-3-carboxamide is sourced from PubChem (CID 23723653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).