N,N-dimethyl-3-[[3-(3-methylphenyl)phenyl]methyl]-1-(5-oxopyrrolidine-2-carbonyl)piperidine-3-carboxamide

C27H33N3O3 — CID 110243961

IUPACN,N-dimethyl-3-[[3-(3-methylphenyl)phenyl]methyl]-1-(5-oxopyrrolidine-2-carbonyl)piperidine-3-carboxamide
SMILESCc1cccc(-c2cccc(CC3(C(=O)N(C)C)CCCN(C(=O)C4CCC(=O)N4)C3)c2)c1
InChIInChI=1S/C27H33N3O3/c1-19-7-4-9-21(15-19)22-10-5-8-20(16-22)17-27(26(33)29(2)3)13-6-14-30(18-27)25(32)23-11-12-24(31)28-23/h4-5,7-10,15-16,23H,6,11-14,17-18H2,1-3H3,(H,28,31)
InChIKeyQDVOHQGCXZCZSD-UHFFFAOYSA-N
MW447.58 g/mol
LogP3.18
Rot. Bonds5

About N,N-dimethyl-3-[[3-(3-methylphenyl)phenyl]methyl]-1-(5-oxopyrrolidine-2-carbonyl)piperidine-3-carboxamide

N,N-dimethyl-3-[[3-(3-methylphenyl)phenyl]methyl]-1-(5-oxopyrrolidine-2-carbonyl)piperidine-3-carboxamide (PubChem CID 110243961) has the molecular formula C27H33N3O3 and a molecular weight of 447.58 g/mol. Its IUPAC name is N,N-dimethyl-3-[[3-(3-methylphenyl)phenyl]methyl]-1-(5-oxopyrrolidine-2-carbonyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-3-[[3-(3-methylphenyl)phenyl]methyl]-1-(5-oxopyrrolidine-2-carbonyl)piperidine-3-carboxamide
PubChem CID110243961
Molecular FormulaC27H33N3O3
Molecular Weight447.58 g/mol
Exact Mass447.25
IUPAC NameN,N-dimethyl-3-[[3-(3-methylphenyl)phenyl]methyl]-1-(5-oxopyrrolidine-2-carbonyl)piperidine-3-carboxamide
SMILESCc1cccc(-c2cccc(CC3(C(=O)N(C)C)CCCN(C(=O)C4CCC(=O)N4)C3)c2)c1
InChIInChI=1S/C27H33N3O3/c1-19-7-4-9-21(15-19)22-10-5-8-20(16-22)17-27(26(33)29(2)3)13-6-14-30(18-27)25(32)23-11-12-24(31)28-23/h4-5,7-10,15-16,23H,6,11-14,17-18H2,1-3H3,(H,28,31)
InChIKeyQDVOHQGCXZCZSD-UHFFFAOYSA-N
XLogP3.18
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.58
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N,N-dimethyl-3-[[3-(3-methylphenyl)phenyl]methyl]-1-(5-oxopyrrolidine-2-carbonyl)piperidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-acetamidoacetyl)-N,N-dimethyl-3-[[3-(3-methylphenyl)phenyl]methyl]piperidine-3-carboxamide
CID 110243960
(3S)-N,N-dimethyl-3-[[3-(4-methylphenyl)phenyl]methyl]-1-[(2R)-oxolane-2-carbonyl]pyrrolidine-3-carboxamide
CID 92558271
(3R)-1-(2-methoxyacetyl)-N,N-dimethyl-3-[(3-phenylphenyl)methyl]piperidine-3-carboxamide
CID 95851011
N,N-dimethyl-1-(2-methylcyclopropanecarbonyl)-3-[(3-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide
CID 110232194
3-[[3-(3-fluorophenyl)phenyl]methyl]-1-(2-methoxyacetyl)-N,N-dimethylpiperidine-3-carboxamide
CID 110243976
1-(cyclopropanecarbonyl)-N,N-dimethyl-3-[(4-phenylphenyl)methyl]piperidine-3-carboxamide
CID 110232463
(3R)-1-(cyclopropanecarbonyl)-N,N-dimethyl-3-[(4-phenylphenyl)methyl]piperidine-3-carboxamide
CID 92604751
(3S)-N,N-dimethyl-1-(2-phenylacetyl)-3-[(3-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide
CID 92604924
(3S)-3-[[4-(4-methoxyphenyl)phenyl]methyl]-1-[(2R)-5-oxopyrrolidine-2-carbonyl]piperidine-3-carboxamide
CID 92596864
(3R)-N,N-dimethyl-1-(pyridine-3-carbonyl)-3-[(3-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide
CID 92605015
(3S)-1-(2-ethylbutanoyl)-N,N-dimethyl-3-[(3-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide
CID 92585891
(3S)-N,N-dimethyl-1-(pyridine-3-carbonyl)-3-[(3-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide
CID 92605016

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[[3-(3-methylphenyl)phenyl]methyl]-1-(5-oxopyrrolidine-2-carbonyl)piperidine-3-carboxamide?
The IUPAC name of N,N-dimethyl-3-[[3-(3-methylphenyl)phenyl]methyl]-1-(5-oxopyrrolidine-2-carbonyl)piperidine-3-carboxamide (CID 110243961) is N,N-dimethyl-3-[[3-(3-methylphenyl)phenyl]methyl]-1-(5-oxopyrrolidine-2-carbonyl)piperidine-3-carboxamide.
What is the SMILES notation for N,N-dimethyl-3-[[3-(3-methylphenyl)phenyl]methyl]-1-(5-oxopyrrolidine-2-carbonyl)piperidine-3-carboxamide?
The canonical SMILES for N,N-dimethyl-3-[[3-(3-methylphenyl)phenyl]methyl]-1-(5-oxopyrrolidine-2-carbonyl)piperidine-3-carboxamide is Cc1cccc(-c2cccc(CC3(C(=O)N(C)C)CCCN(C(=O)C4CCC(=O)N4)C3)c2)c1.
What is the InChIKey of N,N-dimethyl-3-[[3-(3-methylphenyl)phenyl]methyl]-1-(5-oxopyrrolidine-2-carbonyl)piperidine-3-carboxamide?
The InChIKey is QDVOHQGCXZCZSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N3O3/c1-19-7-4-9-21(15-19)22-10-5-8-20(16-22)17-27(26(33)29(2)3)13-6-14-30(18-27)25(32)23-11-12-24(31)28-23/h4-5,7-10,15-16,23H,6,11-14,17-18H2,1-3H3,(H,28,31).
What are the key properties of N,N-dimethyl-3-[[3-(3-methylphenyl)phenyl]methyl]-1-(5-oxopyrrolidine-2-carbonyl)piperidine-3-carboxamide?
N,N-dimethyl-3-[[3-(3-methylphenyl)phenyl]methyl]-1-(5-oxopyrrolidine-2-carbonyl)piperidine-3-carboxamide has a molecular weight of 447.58 g/mol, XLogP of 3.18, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[[3-(3-methylphenyl)phenyl]methyl]-1-(5-oxopyrrolidine-2-carbonyl)piperidine-3-carboxamide is sourced from PubChem (CID 110243961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).