1-(2-methoxybenzoyl)-4-[(4-phenylphenyl)methyl]piperidine-4-carboxamide

C27H28N2O3 — CID 155982891

IUPAC1-(2-methoxybenzoyl)-4-[(4-phenylphenyl)methyl]piperidine-4-carboxamide
SMILESCOc1ccccc1C(=O)N1CCC(Cc2ccc(-c3ccccc3)cc2)(C(N)=O)CC1
InChIInChI=1S/C27H28N2O3/c1-32-24-10-6-5-9-23(24)25(30)29-17-15-27(16-18-29,26(28)31)19-20-11-13-22(14-12-20)21-7-3-2-4-8-21/h2-14H,15-19H2,1H3,(H2,28,31)
InChIKeySEUUGOZJVRGFFJ-UHFFFAOYSA-N
MW428.53 g/mol
LogP4.31
Rot. Bonds6

About 1-(2-methoxybenzoyl)-4-[(4-phenylphenyl)methyl]piperidine-4-carboxamide

1-(2-methoxybenzoyl)-4-[(4-phenylphenyl)methyl]piperidine-4-carboxamide (PubChem CID 155982891) has the molecular formula C27H28N2O3 and a molecular weight of 428.53 g/mol. Its IUPAC name is 1-(2-methoxybenzoyl)-4-[(4-phenylphenyl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2-methoxybenzoyl)-4-[(4-phenylphenyl)methyl]piperidine-4-carboxamide
PubChem CID155982891
Molecular FormulaC27H28N2O3
Molecular Weight428.53 g/mol
Exact Mass428.21
IUPAC Name1-(2-methoxybenzoyl)-4-[(4-phenylphenyl)methyl]piperidine-4-carboxamide
SMILESCOc1ccccc1C(=O)N1CCC(Cc2ccc(-c3ccccc3)cc2)(C(N)=O)CC1
InChIInChI=1S/C27H28N2O3/c1-32-24-10-6-5-9-23(24)25(30)29-17-15-27(16-18-29,26(28)31)19-20-11-13-22(14-12-20)21-7-3-2-4-8-21/h2-14H,15-19H2,1H3,(H2,28,31)
InChIKeySEUUGOZJVRGFFJ-UHFFFAOYSA-N
XLogP4.31
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.53
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-4-(2-methoxybenzoyl)-2-[(4-phenylphenyl)methyl]morpholine-2-carboxamide
CID 92601214
(3S)-1-(2-methoxybenzoyl)-3-[(3-thiophen-2-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 92601068
(3S)-3-[[4-(2-methoxyphenyl)phenyl]methyl]-1-[2-(4-methylphenyl)acetyl]pyrrolidine-3-carboxamide
CID 92557558
1-(2-methoxybenzoyl)-3-[(2-phenylphenyl)methyl]piperidine-3-carboxamide
CID 110232048
1-(2-methoxybenzoyl)-3-[[2-(3-methylphenyl)phenyl]methyl]pyrrolidine-3-carboxamide
CID 110230966
2-[4-(2-methoxybenzoyl)piperazin-1-yl]-2-oxoacetamide
CID 68776678
1-(2-phenoxyacetyl)-4-[(4-pyridin-4-ylphenyl)methyl]piperidine-4-carboxamide
CID 92620724
(4-ethylphenyl)-[4-(2-methoxybenzoyl)piperazin-1-yl]methanone
CID 32770368
(4-hydroxy-4-methylazepan-1-yl)-(2-methoxyphenyl)methanone
CID 107406615
(3S)-1-(2-methoxybenzoyl)-3-[(2-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide
CID 92601128
1-(2,2-dimethylpropanoyl)-4-[[4-(3-methylphenyl)phenyl]methyl]piperidine-4-carboxamide
CID 110083859
(3R)-1-[2-(2-methoxyphenyl)acetyl]-3-[(2-phenylphenyl)methyl]pyrrolidine-3-carboxamide
CID 92601435

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxybenzoyl)-4-[(4-phenylphenyl)methyl]piperidine-4-carboxamide?
The IUPAC name of 1-(2-methoxybenzoyl)-4-[(4-phenylphenyl)methyl]piperidine-4-carboxamide (CID 155982891) is 1-(2-methoxybenzoyl)-4-[(4-phenylphenyl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(2-methoxybenzoyl)-4-[(4-phenylphenyl)methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(2-methoxybenzoyl)-4-[(4-phenylphenyl)methyl]piperidine-4-carboxamide is COc1ccccc1C(=O)N1CCC(Cc2ccc(-c3ccccc3)cc2)(C(N)=O)CC1.
What is the InChIKey of 1-(2-methoxybenzoyl)-4-[(4-phenylphenyl)methyl]piperidine-4-carboxamide?
The InChIKey is SEUUGOZJVRGFFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N2O3/c1-32-24-10-6-5-9-23(24)25(30)29-17-15-27(16-18-29,26(28)31)19-20-11-13-22(14-12-20)21-7-3-2-4-8-21/h2-14H,15-19H2,1H3,(H2,28,31).
What are the key properties of 1-(2-methoxybenzoyl)-4-[(4-phenylphenyl)methyl]piperidine-4-carboxamide?
1-(2-methoxybenzoyl)-4-[(4-phenylphenyl)methyl]piperidine-4-carboxamide has a molecular weight of 428.53 g/mol, XLogP of 4.31, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxybenzoyl)-4-[(4-phenylphenyl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 155982891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).