1-(3-methoxypropanoyl)-N-methyl-4-[(3-phenylphenyl)methyl]piperidine-4-carboxamide

C24H30N2O3 — CID 110084037

IUPAC1-(3-methoxypropanoyl)-N-methyl-4-[(3-phenylphenyl)methyl]piperidine-4-carboxamide
SMILESCNC(=O)C1(Cc2cccc(-c3ccccc3)c2)CCN(C(=O)CCOC)CC1
InChIInChI=1S/C24H30N2O3/c1-25-23(28)24(12-14-26(15-13-24)22(27)11-16-29-2)18-19-7-6-10-21(17-19)20-8-4-3-5-9-20/h3-10,17H,11-16,18H2,1-2H3,(H,25,28)
InChIKeyDLYGBSZKYDYOCX-UHFFFAOYSA-N
MW394.52 g/mol
LogP3.29
Rot. Bonds7

About 1-(3-methoxypropanoyl)-N-methyl-4-[(3-phenylphenyl)methyl]piperidine-4-carboxamide

1-(3-methoxypropanoyl)-N-methyl-4-[(3-phenylphenyl)methyl]piperidine-4-carboxamide (PubChem CID 110084037) has the molecular formula C24H30N2O3 and a molecular weight of 394.52 g/mol. Its IUPAC name is 1-(3-methoxypropanoyl)-N-methyl-4-[(3-phenylphenyl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(3-methoxypropanoyl)-N-methyl-4-[(3-phenylphenyl)methyl]piperidine-4-carboxamide
PubChem CID110084037
Molecular FormulaC24H30N2O3
Molecular Weight394.52 g/mol
Exact Mass394.23
IUPAC Name1-(3-methoxypropanoyl)-N-methyl-4-[(3-phenylphenyl)methyl]piperidine-4-carboxamide
SMILESCNC(=O)C1(Cc2cccc(-c3ccccc3)c2)CCN(C(=O)CCOC)CC1
InChIInChI=1S/C24H30N2O3/c1-25-23(28)24(12-14-26(15-13-24)22(27)11-16-29-2)18-19-7-6-10-21(17-19)20-8-4-3-5-9-20/h3-10,17H,11-16,18H2,1-2H3,(H,25,28)
InChIKeyDLYGBSZKYDYOCX-UHFFFAOYSA-N
XLogP3.29
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1-(2-phenoxyacetyl)-4-[(3-phenylphenyl)methyl]piperidine-4-carboxamide
CID 129360854
N-methyl-1-(2-phenylacetyl)-4-[(4-phenylphenyl)methyl]piperidine-4-carboxamide
CID 155982862
1-(2,2-dimethylpropanoyl)-N-methyl-3-[(3-phenylphenyl)methyl]pyrrolidine-3-carboxamide
CID 110229743
(3R)-N-methyl-3-[(3-phenylphenyl)methyl]-1-propanoylpiperidine-3-carboxamide
CID 95850995
N-methyl-1-(3-methylbutanoyl)-4-[(3-pyridin-3-ylphenyl)methyl]piperidine-4-carboxamide
CID 110083907
4-(3-methoxypropanoyl)-N,N-dimethyl-2-[(3-phenylphenyl)methyl]morpholine-2-carboxamide
CID 110233158
N-ethyl-1-(2-methylpropanoyl)-4-[(3-phenylphenyl)methyl]piperidine-4-carboxamide
CID 110084047
(3R)-N-methyl-1-[3-(5-methylpyrazol-1-yl)propanoyl]-3-[(3-phenylphenyl)methyl]piperidine-3-carboxamide
CID 95851003
1-[2-(3-fluorophenyl)acetyl]-N-methyl-4-[(3-pyridin-3-ylphenyl)methyl]piperidine-4-carboxamide
CID 95805774
N-methyl-1-[(1R,2S)-2-methylcyclopropanecarbonyl]-4-[(3-pyrimidin-5-ylphenyl)methyl]piperidine-4-carboxamide
CID 125015982
(3R)-3-[[4-(2-fluorophenyl)phenyl]methyl]-1-(3-methoxypropanoyl)-N-methylpiperidine-3-carboxamide
CID 92609375
1-(2-methoxyacetyl)-3-[(3-phenylphenyl)methyl]-N-propan-2-ylpiperidine-3-carboxamide
CID 110243852

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxypropanoyl)-N-methyl-4-[(3-phenylphenyl)methyl]piperidine-4-carboxamide?
The IUPAC name of 1-(3-methoxypropanoyl)-N-methyl-4-[(3-phenylphenyl)methyl]piperidine-4-carboxamide (CID 110084037) is 1-(3-methoxypropanoyl)-N-methyl-4-[(3-phenylphenyl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(3-methoxypropanoyl)-N-methyl-4-[(3-phenylphenyl)methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(3-methoxypropanoyl)-N-methyl-4-[(3-phenylphenyl)methyl]piperidine-4-carboxamide is CNC(=O)C1(Cc2cccc(-c3ccccc3)c2)CCN(C(=O)CCOC)CC1.
What is the InChIKey of 1-(3-methoxypropanoyl)-N-methyl-4-[(3-phenylphenyl)methyl]piperidine-4-carboxamide?
The InChIKey is DLYGBSZKYDYOCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O3/c1-25-23(28)24(12-14-26(15-13-24)22(27)11-16-29-2)18-19-7-6-10-21(17-19)20-8-4-3-5-9-20/h3-10,17H,11-16,18H2,1-2H3,(H,25,28).
What are the key properties of 1-(3-methoxypropanoyl)-N-methyl-4-[(3-phenylphenyl)methyl]piperidine-4-carboxamide?
1-(3-methoxypropanoyl)-N-methyl-4-[(3-phenylphenyl)methyl]piperidine-4-carboxamide has a molecular weight of 394.52 g/mol, XLogP of 3.29, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxypropanoyl)-N-methyl-4-[(3-phenylphenyl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 110084037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).