N-benzyl-N-methyl-4-phenyl-1-(3-phenylpropanoyl)piperidine-4-carboxamide

C29H32N2O2 — CID 23601048

IUPACN-benzyl-N-methyl-4-phenyl-1-(3-phenylpropanoyl)piperidine-4-carboxamide
SMILESCN(Cc1ccccc1)C(=O)C1(c2ccccc2)CCN(C(=O)CCc2ccccc2)CC1
InChIInChI=1S/C29H32N2O2/c1-30(23-25-13-7-3-8-14-25)28(33)29(26-15-9-4-10-16-26)19-21-31(22-20-29)27(32)18-17-24-11-5-2-6-12-24/h2-16H,17-23H2,1H3
InChIKeyGVWYWSPGBYAVAN-UHFFFAOYSA-N
MW440.59 g/mol
LogP4.84
Rot. Bonds7

About N-benzyl-N-methyl-4-phenyl-1-(3-phenylpropanoyl)piperidine-4-carboxamide

N-benzyl-N-methyl-4-phenyl-1-(3-phenylpropanoyl)piperidine-4-carboxamide (PubChem CID 23601048) has the molecular formula C29H32N2O2 and a molecular weight of 440.59 g/mol. Its IUPAC name is N-benzyl-N-methyl-4-phenyl-1-(3-phenylpropanoyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-methyl-4-phenyl-1-(3-phenylpropanoyl)piperidine-4-carboxamide
PubChem CID23601048
Molecular FormulaC29H32N2O2
Molecular Weight440.59 g/mol
Exact Mass440.25
IUPAC NameN-benzyl-N-methyl-4-phenyl-1-(3-phenylpropanoyl)piperidine-4-carboxamide
SMILESCN(Cc1ccccc1)C(=O)C1(c2ccccc2)CCN(C(=O)CCc2ccccc2)CC1
InChIInChI=1S/C29H32N2O2/c1-30(23-25-13-7-3-8-14-25)28(33)29(26-15-9-4-10-16-26)19-21-31(22-20-29)27(32)18-17-24-11-5-2-6-12-24/h2-16H,17-23H2,1H3
InChIKeyGVWYWSPGBYAVAN-UHFFFAOYSA-N
XLogP4.84
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.59
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-methyl-4-phenyl-1-(3-phenylpropanoyl)piperidine-4-carboxamide?
The IUPAC name of N-benzyl-N-methyl-4-phenyl-1-(3-phenylpropanoyl)piperidine-4-carboxamide (CID 23601048) is N-benzyl-N-methyl-4-phenyl-1-(3-phenylpropanoyl)piperidine-4-carboxamide.
What is the SMILES notation for N-benzyl-N-methyl-4-phenyl-1-(3-phenylpropanoyl)piperidine-4-carboxamide?
The canonical SMILES for N-benzyl-N-methyl-4-phenyl-1-(3-phenylpropanoyl)piperidine-4-carboxamide is CN(Cc1ccccc1)C(=O)C1(c2ccccc2)CCN(C(=O)CCc2ccccc2)CC1.
What is the InChIKey of N-benzyl-N-methyl-4-phenyl-1-(3-phenylpropanoyl)piperidine-4-carboxamide?
The InChIKey is GVWYWSPGBYAVAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32N2O2/c1-30(23-25-13-7-3-8-14-25)28(33)29(26-15-9-4-10-16-26)19-21-31(22-20-29)27(32)18-17-24-11-5-2-6-12-24/h2-16H,17-23H2,1H3.
What are the key properties of N-benzyl-N-methyl-4-phenyl-1-(3-phenylpropanoyl)piperidine-4-carboxamide?
N-benzyl-N-methyl-4-phenyl-1-(3-phenylpropanoyl)piperidine-4-carboxamide has a molecular weight of 440.59 g/mol, XLogP of 4.84, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-methyl-4-phenyl-1-(3-phenylpropanoyl)piperidine-4-carboxamide is sourced from PubChem (CID 23601048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).