1-(cyclopropanecarbonyl)-N,N-dimethyl-4-[(3-phenylphenyl)methyl]piperidine-4-carboxamide

C25H30N2O2 — CID 110084041

IUPAC1-(cyclopropanecarbonyl)-N,N-dimethyl-4-[(3-phenylphenyl)methyl]piperidine-4-carboxamide
SMILESCN(C)C(=O)C1(Cc2cccc(-c3ccccc3)c2)CCN(C(=O)C2CC2)CC1
InChIInChI=1S/C25H30N2O2/c1-26(2)24(29)25(13-15-27(16-14-25)23(28)21-11-12-21)18-19-7-6-10-22(17-19)20-8-4-3-5-9-20/h3-10,17,21H,11-16,18H2,1-2H3
InChIKeyLLEUIWJPZTUQII-UHFFFAOYSA-N
MW390.53 g/mol
LogP4.00
Rot. Bonds5

About 1-(cyclopropanecarbonyl)-N,N-dimethyl-4-[(3-phenylphenyl)methyl]piperidine-4-carboxamide

1-(cyclopropanecarbonyl)-N,N-dimethyl-4-[(3-phenylphenyl)methyl]piperidine-4-carboxamide (PubChem CID 110084041) has the molecular formula C25H30N2O2 and a molecular weight of 390.53 g/mol. Its IUPAC name is 1-(cyclopropanecarbonyl)-N,N-dimethyl-4-[(3-phenylphenyl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(cyclopropanecarbonyl)-N,N-dimethyl-4-[(3-phenylphenyl)methyl]piperidine-4-carboxamide
PubChem CID110084041
Molecular FormulaC25H30N2O2
Molecular Weight390.53 g/mol
Exact Mass390.23
IUPAC Name1-(cyclopropanecarbonyl)-N,N-dimethyl-4-[(3-phenylphenyl)methyl]piperidine-4-carboxamide
SMILESCN(C)C(=O)C1(Cc2cccc(-c3ccccc3)c2)CCN(C(=O)C2CC2)CC1
InChIInChI=1S/C25H30N2O2/c1-26(2)24(29)25(13-15-27(16-14-25)23(28)21-11-12-21)18-19-7-6-10-22(17-19)20-8-4-3-5-9-20/h3-10,17,21H,11-16,18H2,1-2H3
InChIKeyLLEUIWJPZTUQII-UHFFFAOYSA-N
XLogP4.00
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.53
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(cyclopropanecarbonyl)-N,N-dimethyl-4-[[4-(3-methylphenyl)phenyl]methyl]piperidine-4-carboxamide
CID 95805742
(2S)-4-(cyclopropanecarbonyl)-N,N-dimethyl-2-[(3-phenylphenyl)methyl]morpholine-2-carboxamide
CID 92605600
N,N-dimethyl-4-[(3-phenylphenyl)methyl]-1-(2-pyridin-3-ylacetyl)piperidine-4-carboxamide
CID 155982938
1-(cyclopropanecarbonyl)-N,N-dimethyl-4-[(4-pyridin-4-ylphenyl)methyl]piperidine-4-carboxamide
CID 110083669
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
N,N-dimethyl-3-[(3-phenylphenyl)methyl]-1-(pyridine-4-carbonyl)pyrrolidine-3-carboxamide
CID 110243400
N,N-dimethyl-1-(2-methylcyclopropanecarbonyl)-4-[[3-(2-methylphenyl)phenyl]methyl]piperidine-4-carboxamide
CID 110247310
(3R)-N,N-dimethyl-3-[(3-phenylphenyl)methyl]-1-(pyridine-2-carbonyl)pyrrolidine-3-carboxamide
CID 92605455
1-(2,2-dimethylpropanoyl)-N,N-dimethyl-4-[(3-pyridin-3-ylphenyl)methyl]piperidine-4-carboxamide
CID 110083917
(3S)-N,N-dimethyl-3-[[3-(4-methylphenyl)phenyl]methyl]-1-[(2R)-oxolane-2-carbonyl]pyrrolidine-3-carboxamide
CID 92558271
N,N-dimethyl-3-[[3-(4-methylphenyl)phenyl]methyl]-1-(2-methylpropanoyl)pyrrolidine-3-carboxamide
CID 110243390

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropanecarbonyl)-N,N-dimethyl-4-[(3-phenylphenyl)methyl]piperidine-4-carboxamide?
The IUPAC name of 1-(cyclopropanecarbonyl)-N,N-dimethyl-4-[(3-phenylphenyl)methyl]piperidine-4-carboxamide (CID 110084041) is 1-(cyclopropanecarbonyl)-N,N-dimethyl-4-[(3-phenylphenyl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(cyclopropanecarbonyl)-N,N-dimethyl-4-[(3-phenylphenyl)methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(cyclopropanecarbonyl)-N,N-dimethyl-4-[(3-phenylphenyl)methyl]piperidine-4-carboxamide is CN(C)C(=O)C1(Cc2cccc(-c3ccccc3)c2)CCN(C(=O)C2CC2)CC1.
What is the InChIKey of 1-(cyclopropanecarbonyl)-N,N-dimethyl-4-[(3-phenylphenyl)methyl]piperidine-4-carboxamide?
The InChIKey is LLEUIWJPZTUQII-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N2O2/c1-26(2)24(29)25(13-15-27(16-14-25)23(28)21-11-12-21)18-19-7-6-10-22(17-19)20-8-4-3-5-9-20/h3-10,17,21H,11-16,18H2,1-2H3.
What are the key properties of 1-(cyclopropanecarbonyl)-N,N-dimethyl-4-[(3-phenylphenyl)methyl]piperidine-4-carboxamide?
1-(cyclopropanecarbonyl)-N,N-dimethyl-4-[(3-phenylphenyl)methyl]piperidine-4-carboxamide has a molecular weight of 390.53 g/mol, XLogP of 4.00, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropanecarbonyl)-N,N-dimethyl-4-[(3-phenylphenyl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 110084041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).