N-[(3-methylphenyl)methyl]-6-oxo-1-(3-phenylpropyl)piperidine-3-carboxamide

C23H28N2O2 — CID 45243025

IUPACN-[(3-methylphenyl)methyl]-6-oxo-1-(3-phenylpropyl)piperidine-3-carboxamide
SMILESCc1cccc(CNC(=O)C2CCC(=O)N(CCCc3ccccc3)C2)c1
InChIInChI=1S/C23H28N2O2/c1-18-7-5-10-20(15-18)16-24-23(27)21-12-13-22(26)25(17-21)14-6-11-19-8-3-2-4-9-19/h2-5,7-10,15,21H,6,11-14,16-17H2,1H3,(H,24,27)
InChIKeyRQBUPQYJQCQNFI-UHFFFAOYSA-N
MW364.49 g/mol
LogP3.48
Rot. Bonds7

About N-[(3-methylphenyl)methyl]-6-oxo-1-(3-phenylpropyl)piperidine-3-carboxamide

N-[(3-methylphenyl)methyl]-6-oxo-1-(3-phenylpropyl)piperidine-3-carboxamide (PubChem CID 45243025) has the molecular formula C23H28N2O2 and a molecular weight of 364.49 g/mol. Its IUPAC name is N-[(3-methylphenyl)methyl]-6-oxo-1-(3-phenylpropyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[(3-methylphenyl)methyl]-6-oxo-1-(3-phenylpropyl)piperidine-3-carboxamide
PubChem CID45243025
Molecular FormulaC23H28N2O2
Molecular Weight364.49 g/mol
Exact Mass364.22
IUPAC NameN-[(3-methylphenyl)methyl]-6-oxo-1-(3-phenylpropyl)piperidine-3-carboxamide
SMILESCc1cccc(CNC(=O)C2CCC(=O)N(CCCc3ccccc3)C2)c1
InChIInChI=1S/C23H28N2O2/c1-18-7-5-10-20(15-18)16-24-23(27)21-12-13-22(26)25(17-21)14-6-11-19-8-3-2-4-9-19/h2-5,7-10,15,21H,6,11-14,16-17H2,1H3,(H,24,27)
InChIKeyRQBUPQYJQCQNFI-UHFFFAOYSA-N
XLogP3.48
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(3-methylphenyl)methyl]-6-oxo-1-(3-phenylpropyl)piperidine-3-carboxamide?
The IUPAC name of N-[(3-methylphenyl)methyl]-6-oxo-1-(3-phenylpropyl)piperidine-3-carboxamide (CID 45243025) is N-[(3-methylphenyl)methyl]-6-oxo-1-(3-phenylpropyl)piperidine-3-carboxamide.
What is the SMILES notation for N-[(3-methylphenyl)methyl]-6-oxo-1-(3-phenylpropyl)piperidine-3-carboxamide?
The canonical SMILES for N-[(3-methylphenyl)methyl]-6-oxo-1-(3-phenylpropyl)piperidine-3-carboxamide is Cc1cccc(CNC(=O)C2CCC(=O)N(CCCc3ccccc3)C2)c1.
What is the InChIKey of N-[(3-methylphenyl)methyl]-6-oxo-1-(3-phenylpropyl)piperidine-3-carboxamide?
The InChIKey is RQBUPQYJQCQNFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O2/c1-18-7-5-10-20(15-18)16-24-23(27)21-12-13-22(26)25(17-21)14-6-11-19-8-3-2-4-9-19/h2-5,7-10,15,21H,6,11-14,16-17H2,1H3,(H,24,27).
What are the key properties of N-[(3-methylphenyl)methyl]-6-oxo-1-(3-phenylpropyl)piperidine-3-carboxamide?
N-[(3-methylphenyl)methyl]-6-oxo-1-(3-phenylpropyl)piperidine-3-carboxamide has a molecular weight of 364.49 g/mol, XLogP of 3.48, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methylphenyl)methyl]-6-oxo-1-(3-phenylpropyl)piperidine-3-carboxamide is sourced from PubChem (CID 45243025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).