N,N-dimethyl-1-(2-methylcyclopropanecarbonyl)-4-[[3-(2-methylphenyl)phenyl]methyl]piperidine-4-carboxamide

C27H34N2O2 — CID 110247310

IUPACN,N-dimethyl-1-(2-methylcyclopropanecarbonyl)-4-[[3-(2-methylphenyl)phenyl]methyl]piperidine-4-carboxamide
SMILESCc1ccccc1-c1cccc(CC2(C(=O)N(C)C)CCN(C(=O)C3CC3C)CC2)c1
InChIInChI=1S/C27H34N2O2/c1-19-8-5-6-11-23(19)22-10-7-9-21(17-22)18-27(26(31)28(3)4)12-14-29(15-13-27)25(30)24-16-20(24)2/h5-11,17,20,24H,12-16,18H2,1-4H3
InChIKeyZLPASPXBQHSSKQ-UHFFFAOYSA-N
MW418.58 g/mol
LogP4.56
Rot. Bonds5

About N,N-dimethyl-1-(2-methylcyclopropanecarbonyl)-4-[[3-(2-methylphenyl)phenyl]methyl]piperidine-4-carboxamide

N,N-dimethyl-1-(2-methylcyclopropanecarbonyl)-4-[[3-(2-methylphenyl)phenyl]methyl]piperidine-4-carboxamide (PubChem CID 110247310) has the molecular formula C27H34N2O2 and a molecular weight of 418.58 g/mol. Its IUPAC name is N,N-dimethyl-1-(2-methylcyclopropanecarbonyl)-4-[[3-(2-methylphenyl)phenyl]methyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-1-(2-methylcyclopropanecarbonyl)-4-[[3-(2-methylphenyl)phenyl]methyl]piperidine-4-carboxamide
PubChem CID110247310
Molecular FormulaC27H34N2O2
Molecular Weight418.58 g/mol
Exact Mass418.26
IUPAC NameN,N-dimethyl-1-(2-methylcyclopropanecarbonyl)-4-[[3-(2-methylphenyl)phenyl]methyl]piperidine-4-carboxamide
SMILESCc1ccccc1-c1cccc(CC2(C(=O)N(C)C)CCN(C(=O)C3CC3C)CC2)c1
InChIInChI=1S/C27H34N2O2/c1-19-8-5-6-11-23(19)22-10-7-9-21(17-22)18-27(26(31)28(3)4)12-14-29(15-13-27)25(30)24-16-20(24)2/h5-11,17,20,24H,12-16,18H2,1-4H3
InChIKeyZLPASPXBQHSSKQ-UHFFFAOYSA-N
XLogP4.56
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.58
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N,N-dimethyl-1-(2-methylcyclopropanecarbonyl)-4-[[3-(2-methylphenyl)phenyl]methyl]piperidine-4-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-[(1S,2R)-2-methylcyclopropanecarbonyl]-4-[[3-(2-methylphenyl)phenyl]methyl]-N-propan-2-ylpiperidine-4-carboxamide
CID 95805840
N,N-dimethyl-1-(2-methylcyclopropanecarbonyl)-4-[[2-(2-methylphenyl)phenyl]methyl]piperidine-4-carboxamide
CID 110247292
1-(cyclopropanecarbonyl)-N,N-dimethyl-4-[(3-phenylphenyl)methyl]piperidine-4-carboxamide
CID 110084041
N,N-dimethyl-1-[(1S,2R)-2-methylcyclopropanecarbonyl]-4-[(2-pyridin-3-ylphenyl)methyl]piperidine-4-carboxamide
CID 124994587
(3S)-3-[[4-(2-methoxyphenyl)phenyl]methyl]-N,N-dimethyl-1-[(1R,2R)-2-methylcyclopropanecarbonyl]pyrrolidine-3-carboxamide
CID 124805911
N,N-dimethyl-1-(2-methylcyclopropanecarbonyl)-3-[(3-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide
CID 110232194
N-methyl-1-[(1R,2S)-2-methylcyclopropanecarbonyl]-4-[(3-pyrimidin-5-ylphenyl)methyl]piperidine-4-carboxamide
CID 125015982
1-(cyclopropanecarbonyl)-N,N-dimethyl-4-[[4-(3-methylphenyl)phenyl]methyl]piperidine-4-carboxamide
CID 95805742
1-(cyclopentanecarbonyl)-N,N-dimethyl-4-[[2-(2-methylphenyl)phenyl]methyl]piperidine-4-carboxamide
CID 155982821
(3R)-N,N-diethyl-1-[(1S,2S)-2-methylcyclopropanecarbonyl]-3-[(3-pyridin-3-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 92590847
N,N-dimethyl-4-[(3-phenylphenyl)methyl]-1-(2-pyridin-3-ylacetyl)piperidine-4-carboxamide
CID 155982938
1-(2,2-dimethylpropanoyl)-N,N-dimethyl-4-[(3-pyridin-3-ylphenyl)methyl]piperidine-4-carboxamide
CID 110083917

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-(2-methylcyclopropanecarbonyl)-4-[[3-(2-methylphenyl)phenyl]methyl]piperidine-4-carboxamide?
The IUPAC name of N,N-dimethyl-1-(2-methylcyclopropanecarbonyl)-4-[[3-(2-methylphenyl)phenyl]methyl]piperidine-4-carboxamide (CID 110247310) is N,N-dimethyl-1-(2-methylcyclopropanecarbonyl)-4-[[3-(2-methylphenyl)phenyl]methyl]piperidine-4-carboxamide.
What is the SMILES notation for N,N-dimethyl-1-(2-methylcyclopropanecarbonyl)-4-[[3-(2-methylphenyl)phenyl]methyl]piperidine-4-carboxamide?
The canonical SMILES for N,N-dimethyl-1-(2-methylcyclopropanecarbonyl)-4-[[3-(2-methylphenyl)phenyl]methyl]piperidine-4-carboxamide is Cc1ccccc1-c1cccc(CC2(C(=O)N(C)C)CCN(C(=O)C3CC3C)CC2)c1.
What is the InChIKey of N,N-dimethyl-1-(2-methylcyclopropanecarbonyl)-4-[[3-(2-methylphenyl)phenyl]methyl]piperidine-4-carboxamide?
The InChIKey is ZLPASPXBQHSSKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N2O2/c1-19-8-5-6-11-23(19)22-10-7-9-21(17-22)18-27(26(31)28(3)4)12-14-29(15-13-27)25(30)24-16-20(24)2/h5-11,17,20,24H,12-16,18H2,1-4H3.
What are the key properties of N,N-dimethyl-1-(2-methylcyclopropanecarbonyl)-4-[[3-(2-methylphenyl)phenyl]methyl]piperidine-4-carboxamide?
N,N-dimethyl-1-(2-methylcyclopropanecarbonyl)-4-[[3-(2-methylphenyl)phenyl]methyl]piperidine-4-carboxamide has a molecular weight of 418.58 g/mol, XLogP of 4.56, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-(2-methylcyclopropanecarbonyl)-4-[[3-(2-methylphenyl)phenyl]methyl]piperidine-4-carboxamide is sourced from PubChem (CID 110247310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).