N-(2,2-diphenylethyl)-1-methyl-2-oxopiperidine-4-carboxamide

C21H24N2O2 — CID 75460632

IUPACN-(2,2-diphenylethyl)-1-methyl-2-oxopiperidine-4-carboxamide
SMILESCN1CCC(C(=O)NCC(c2ccccc2)c2ccccc2)CC1=O
InChIInChI=1S/C21H24N2O2/c1-23-13-12-18(14-20(23)24)21(25)22-15-19(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-11,18-19H,12-15H2,1H3,(H,22,25)
InChIKeyLJFUEYQIQOZVJT-UHFFFAOYSA-N
MW336.44 g/mol
LogP2.80
Rot. Bonds5

About N-(2,2-diphenylethyl)-1-methyl-2-oxopiperidine-4-carboxamide

N-(2,2-diphenylethyl)-1-methyl-2-oxopiperidine-4-carboxamide (PubChem CID 75460632) has the molecular formula C21H24N2O2 and a molecular weight of 336.44 g/mol. Its IUPAC name is N-(2,2-diphenylethyl)-1-methyl-2-oxopiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2,2-diphenylethyl)-1-methyl-2-oxopiperidine-4-carboxamide
PubChem CID75460632
Molecular FormulaC21H24N2O2
Molecular Weight336.44 g/mol
Exact Mass336.18
IUPAC NameN-(2,2-diphenylethyl)-1-methyl-2-oxopiperidine-4-carboxamide
SMILESCN1CCC(C(=O)NCC(c2ccccc2)c2ccccc2)CC1=O
InChIInChI=1S/C21H24N2O2/c1-23-13-12-18(14-20(23)24)21(25)22-15-19(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-11,18-19H,12-15H2,1H3,(H,22,25)
InChIKeyLJFUEYQIQOZVJT-UHFFFAOYSA-N
XLogP2.80
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-diphenylethyl)-1-methyl-2-oxopiperidine-4-carboxamide?
The IUPAC name of N-(2,2-diphenylethyl)-1-methyl-2-oxopiperidine-4-carboxamide (CID 75460632) is N-(2,2-diphenylethyl)-1-methyl-2-oxopiperidine-4-carboxamide.
What is the SMILES notation for N-(2,2-diphenylethyl)-1-methyl-2-oxopiperidine-4-carboxamide?
The canonical SMILES for N-(2,2-diphenylethyl)-1-methyl-2-oxopiperidine-4-carboxamide is CN1CCC(C(=O)NCC(c2ccccc2)c2ccccc2)CC1=O.
What is the InChIKey of N-(2,2-diphenylethyl)-1-methyl-2-oxopiperidine-4-carboxamide?
The InChIKey is LJFUEYQIQOZVJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O2/c1-23-13-12-18(14-20(23)24)21(25)22-15-19(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-11,18-19H,12-15H2,1H3,(H,22,25).
What are the key properties of N-(2,2-diphenylethyl)-1-methyl-2-oxopiperidine-4-carboxamide?
N-(2,2-diphenylethyl)-1-methyl-2-oxopiperidine-4-carboxamide has a molecular weight of 336.44 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-diphenylethyl)-1-methyl-2-oxopiperidine-4-carboxamide is sourced from PubChem (CID 75460632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).