N-ethyl-1-(2-methylpropanoyl)-4-[(3-phenylphenyl)methyl]piperidine-4-carboxamide

C25H32N2O2 — CID 110084047

IUPACN-ethyl-1-(2-methylpropanoyl)-4-[(3-phenylphenyl)methyl]piperidine-4-carboxamide
SMILESCCNC(=O)C1(Cc2cccc(-c3ccccc3)c2)CCN(C(=O)C(C)C)CC1
InChIInChI=1S/C25H32N2O2/c1-4-26-24(29)25(13-15-27(16-14-25)23(28)19(2)3)18-20-9-8-12-22(17-20)21-10-6-5-7-11-21/h5-12,17,19H,4,13-16,18H2,1-3H3,(H,26,29)
InChIKeyKLRMNFWJQUUJLP-UHFFFAOYSA-N
MW392.54 g/mol
LogP4.30
Rot. Bonds6

About N-ethyl-1-(2-methylpropanoyl)-4-[(3-phenylphenyl)methyl]piperidine-4-carboxamide

N-ethyl-1-(2-methylpropanoyl)-4-[(3-phenylphenyl)methyl]piperidine-4-carboxamide (PubChem CID 110084047) has the molecular formula C25H32N2O2 and a molecular weight of 392.54 g/mol. Its IUPAC name is N-ethyl-1-(2-methylpropanoyl)-4-[(3-phenylphenyl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-ethyl-1-(2-methylpropanoyl)-4-[(3-phenylphenyl)methyl]piperidine-4-carboxamide
PubChem CID110084047
Molecular FormulaC25H32N2O2
Molecular Weight392.54 g/mol
Exact Mass392.25
IUPAC NameN-ethyl-1-(2-methylpropanoyl)-4-[(3-phenylphenyl)methyl]piperidine-4-carboxamide
SMILESCCNC(=O)C1(Cc2cccc(-c3ccccc3)c2)CCN(C(=O)C(C)C)CC1
InChIInChI=1S/C25H32N2O2/c1-4-26-24(29)25(13-15-27(16-14-25)23(28)19(2)3)18-20-9-8-12-22(17-20)21-10-6-5-7-11-21/h5-12,17,19H,4,13-16,18H2,1-3H3,(H,26,29)
InChIKeyKLRMNFWJQUUJLP-UHFFFAOYSA-N
XLogP4.30
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.54
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-1-(2,2-dimethylpropanoyl)-N-ethyl-3-[(3-phenylphenyl)methyl]pyrrolidine-3-carboxamide
CID 92592173
N-ethyl-1-(5-methylthiophene-3-carbonyl)-4-[(3-phenylphenyl)methyl]piperidine-4-carboxamide
CID 155982942
(3S)-1-(4-aminobenzoyl)-N-ethyl-3-[(3-phenylphenyl)methyl]pyrrolidine-3-carboxamide
CID 92592401
1-benzoyl-N-ethyl-4-[(3-pyrimidin-5-ylphenyl)methyl]piperidine-4-carboxamide
CID 110084101
(3S)-N-ethyl-3-[(3-phenylphenyl)methyl]-1-(2-pyridin-2-ylacetyl)pyrrolidine-3-carboxamide
CID 92592317
1-(2-methylpropanoyl)-N-prop-2-enyl-4-[(3-thiophen-2-ylphenyl)methyl]piperidine-4-carboxamide
CID 110084022
N-ethyl-3-[(3-phenylphenyl)methyl]-1-propanoylpiperidine-3-carboxamide
CID 110243848
N-ethyl-3-[(3-phenylphenyl)methyl]-1-(pyridine-3-carbonyl)pyrrolidine-3-carboxamide
CID 110229783
(3R)-N-ethyl-3-[[3-(4-fluorophenyl)phenyl]methyl]-1-propanoylpyrrolidine-3-carboxamide
CID 92584975
(3S)-N-ethyl-3-[(3-phenylphenyl)methyl]-1-(pyrazine-2-carbonyl)pyrrolidine-3-carboxamide
CID 92592501
N-ethyl-1-(1-ethylpyrazole-3-carbonyl)-3-[(3-phenylphenyl)methyl]pyrrolidine-3-carboxamide
CID 110243404
N-ethyl-1-(pyrazine-2-carbonyl)-4-[(3-pyridin-4-ylphenyl)methyl]piperidine-4-carboxamide
CID 110083881

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(2-methylpropanoyl)-4-[(3-phenylphenyl)methyl]piperidine-4-carboxamide?
The IUPAC name of N-ethyl-1-(2-methylpropanoyl)-4-[(3-phenylphenyl)methyl]piperidine-4-carboxamide (CID 110084047) is N-ethyl-1-(2-methylpropanoyl)-4-[(3-phenylphenyl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for N-ethyl-1-(2-methylpropanoyl)-4-[(3-phenylphenyl)methyl]piperidine-4-carboxamide?
The canonical SMILES for N-ethyl-1-(2-methylpropanoyl)-4-[(3-phenylphenyl)methyl]piperidine-4-carboxamide is CCNC(=O)C1(Cc2cccc(-c3ccccc3)c2)CCN(C(=O)C(C)C)CC1.
What is the InChIKey of N-ethyl-1-(2-methylpropanoyl)-4-[(3-phenylphenyl)methyl]piperidine-4-carboxamide?
The InChIKey is KLRMNFWJQUUJLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N2O2/c1-4-26-24(29)25(13-15-27(16-14-25)23(28)19(2)3)18-20-9-8-12-22(17-20)21-10-6-5-7-11-21/h5-12,17,19H,4,13-16,18H2,1-3H3,(H,26,29).
What are the key properties of N-ethyl-1-(2-methylpropanoyl)-4-[(3-phenylphenyl)methyl]piperidine-4-carboxamide?
N-ethyl-1-(2-methylpropanoyl)-4-[(3-phenylphenyl)methyl]piperidine-4-carboxamide has a molecular weight of 392.54 g/mol, XLogP of 4.30, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(2-methylpropanoyl)-4-[(3-phenylphenyl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 110084047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).