1-[(3-methoxyphenyl)methyl]-N-[3-(4-methylphenyl)propyl]-6-oxopiperidine-3-carboxamide

C24H30N2O3 — CID 24819537

IUPAC1-[(3-methoxyphenyl)methyl]-N-[3-(4-methylphenyl)propyl]-6-oxopiperidine-3-carboxamide
SMILESCOc1cccc(CN2CC(C(=O)NCCCc3ccc(C)cc3)CCC2=O)c1
InChIInChI=1S/C24H30N2O3/c1-18-8-10-19(11-9-18)6-4-14-25-24(28)21-12-13-23(27)26(17-21)16-20-5-3-7-22(15-20)29-2/h3,5,7-11,15,21H,4,6,12-14,16-17H2,1-2H3,(H,25,28)
InChIKeyHSFLZYKXZNBVGW-UHFFFAOYSA-N
MW394.52 g/mol
LogP3.49
Rot. Bonds8

About 1-[(3-methoxyphenyl)methyl]-N-[3-(4-methylphenyl)propyl]-6-oxopiperidine-3-carboxamide

1-[(3-methoxyphenyl)methyl]-N-[3-(4-methylphenyl)propyl]-6-oxopiperidine-3-carboxamide (PubChem CID 24819537) has the molecular formula C24H30N2O3 and a molecular weight of 394.52 g/mol. Its IUPAC name is 1-[(3-methoxyphenyl)methyl]-N-[3-(4-methylphenyl)propyl]-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound Name1-[(3-methoxyphenyl)methyl]-N-[3-(4-methylphenyl)propyl]-6-oxopiperidine-3-carboxamide
PubChem CID24819537
Molecular FormulaC24H30N2O3
Molecular Weight394.52 g/mol
Exact Mass394.23
IUPAC Name1-[(3-methoxyphenyl)methyl]-N-[3-(4-methylphenyl)propyl]-6-oxopiperidine-3-carboxamide
SMILESCOc1cccc(CN2CC(C(=O)NCCCc3ccc(C)cc3)CCC2=O)c1
InChIInChI=1S/C24H30N2O3/c1-18-8-10-19(11-9-18)6-4-14-25-24(28)21-12-13-23(27)26(17-21)16-20-5-3-7-22(15-20)29-2/h3,5,7-11,15,21H,4,6,12-14,16-17H2,1-2H3,(H,25,28)
InChIKeyHSFLZYKXZNBVGW-UHFFFAOYSA-N
XLogP3.49
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 53.49
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-[(3-methoxyphenyl)methyl]-N-[3-(4-methylphenyl)propyl]-6-oxopiperidine-3-carboxamide?
The IUPAC name of 1-[(3-methoxyphenyl)methyl]-N-[3-(4-methylphenyl)propyl]-6-oxopiperidine-3-carboxamide (CID 24819537) is 1-[(3-methoxyphenyl)methyl]-N-[3-(4-methylphenyl)propyl]-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for 1-[(3-methoxyphenyl)methyl]-N-[3-(4-methylphenyl)propyl]-6-oxopiperidine-3-carboxamide?
The canonical SMILES for 1-[(3-methoxyphenyl)methyl]-N-[3-(4-methylphenyl)propyl]-6-oxopiperidine-3-carboxamide is COc1cccc(CN2CC(C(=O)NCCCc3ccc(C)cc3)CCC2=O)c1.
What is the InChIKey of 1-[(3-methoxyphenyl)methyl]-N-[3-(4-methylphenyl)propyl]-6-oxopiperidine-3-carboxamide?
The InChIKey is HSFLZYKXZNBVGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O3/c1-18-8-10-19(11-9-18)6-4-14-25-24(28)21-12-13-23(27)26(17-21)16-20-5-3-7-22(15-20)29-2/h3,5,7-11,15,21H,4,6,12-14,16-17H2,1-2H3,(H,25,28).
What are the key properties of 1-[(3-methoxyphenyl)methyl]-N-[3-(4-methylphenyl)propyl]-6-oxopiperidine-3-carboxamide?
1-[(3-methoxyphenyl)methyl]-N-[3-(4-methylphenyl)propyl]-6-oxopiperidine-3-carboxamide has a molecular weight of 394.52 g/mol, XLogP of 3.49, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methoxyphenyl)methyl]-N-[3-(4-methylphenyl)propyl]-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 24819537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).