1-[2-(3-fluorophenyl)acetyl]-N-methyl-4-[(3-pyridin-3-ylphenyl)methyl]piperidine-4-carboxamide

C27H28FN3O2 — CID 95805774

IUPAC1-[2-(3-fluorophenyl)acetyl]-N-methyl-4-[(3-pyridin-3-ylphenyl)methyl]piperidine-4-carboxamide
SMILESCNC(=O)C1(Cc2cccc(-c3cccnc3)c2)CCN(C(=O)Cc2cccc(F)c2)CC1
InChIInChI=1S/C27H28FN3O2/c1-29-26(33)27(18-21-6-2-7-22(15-21)23-8-4-12-30-19-23)10-13-31(14-11-27)25(32)17-20-5-3-9-24(28)16-20/h2-9,12,15-16,19H,10-11,13-14,17-18H2,1H3,(H,29,33)
InChIKeyMYSLEYLVKHXFAP-UHFFFAOYSA-N
MW445.54 g/mol
LogP4.03
Rot. Bonds6

About 1-[2-(3-fluorophenyl)acetyl]-N-methyl-4-[(3-pyridin-3-ylphenyl)methyl]piperidine-4-carboxamide

1-[2-(3-fluorophenyl)acetyl]-N-methyl-4-[(3-pyridin-3-ylphenyl)methyl]piperidine-4-carboxamide (PubChem CID 95805774) has the molecular formula C27H28FN3O2 and a molecular weight of 445.54 g/mol. Its IUPAC name is 1-[2-(3-fluorophenyl)acetyl]-N-methyl-4-[(3-pyridin-3-ylphenyl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-(3-fluorophenyl)acetyl]-N-methyl-4-[(3-pyridin-3-ylphenyl)methyl]piperidine-4-carboxamide
PubChem CID95805774
Molecular FormulaC27H28FN3O2
Molecular Weight445.54 g/mol
Exact Mass445.22
IUPAC Name1-[2-(3-fluorophenyl)acetyl]-N-methyl-4-[(3-pyridin-3-ylphenyl)methyl]piperidine-4-carboxamide
SMILESCNC(=O)C1(Cc2cccc(-c3cccnc3)c2)CCN(C(=O)Cc2cccc(F)c2)CC1
InChIInChI=1S/C27H28FN3O2/c1-29-26(33)27(18-21-6-2-7-22(15-21)23-8-4-12-30-19-23)10-13-31(14-11-27)25(32)17-20-5-3-9-24(28)16-20/h2-9,12,15-16,19H,10-11,13-14,17-18H2,1H3,(H,29,33)
InChIKeyMYSLEYLVKHXFAP-UHFFFAOYSA-N
XLogP4.03
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.54
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[2-(3-fluorophenyl)acetyl]-N-methyl-4-[(3-pyridin-3-ylphenyl)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

N-methyl-1-(3-methylbutanoyl)-4-[(3-pyridin-3-ylphenyl)methyl]piperidine-4-carboxamide
CID 110083907
1-[(3-fluorophenyl)methyl]-N-methyl-3-[(3-pyridin-3-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 110229581
1-[2-(3-methylphenyl)acetyl]-4-[(3-pyridin-3-ylphenyl)methyl]piperidine-4-carboxamide
CID 95805777
(3S)-N-ethyl-1-[2-(3-methylphenyl)acetyl]-3-[(3-pyridin-3-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 92592305
N-methyl-1-[(6-methyl-2-pyridinyl)methyl]-4-[(3-pyridin-3-ylphenyl)methyl]piperidine-4-carboxamide
CID 110083910
N,N-dimethyl-4-[(3-phenylphenyl)methyl]-1-(2-pyridin-3-ylacetyl)piperidine-4-carboxamide
CID 155982938
N-methyl-1-(2-phenylacetyl)-4-[(4-phenylphenyl)methyl]piperidine-4-carboxamide
CID 155982862
N-methyl-1-(2-phenoxyacetyl)-4-[(3-phenylphenyl)methyl]piperidine-4-carboxamide
CID 129360854
N-methyl-1-[(1R,2S)-2-methylcyclopropanecarbonyl]-4-[(3-pyrimidin-5-ylphenyl)methyl]piperidine-4-carboxamide
CID 125015982
3-[[3-(3-fluorophenyl)phenyl]methyl]-N-methyl-1-(pyridine-4-carbonyl)piperidine-3-carboxamide
CID 110232823
N-ethyl-1-(oxolane-2-carbonyl)-4-[(3-pyridin-3-ylphenyl)methyl]piperidine-4-carboxamide
CID 110083941
1-butanoyl-N-cyclopropyl-3-[(3-pyridin-3-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 110229548

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-fluorophenyl)acetyl]-N-methyl-4-[(3-pyridin-3-ylphenyl)methyl]piperidine-4-carboxamide?
The IUPAC name of 1-[2-(3-fluorophenyl)acetyl]-N-methyl-4-[(3-pyridin-3-ylphenyl)methyl]piperidine-4-carboxamide (CID 95805774) is 1-[2-(3-fluorophenyl)acetyl]-N-methyl-4-[(3-pyridin-3-ylphenyl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[2-(3-fluorophenyl)acetyl]-N-methyl-4-[(3-pyridin-3-ylphenyl)methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[2-(3-fluorophenyl)acetyl]-N-methyl-4-[(3-pyridin-3-ylphenyl)methyl]piperidine-4-carboxamide is CNC(=O)C1(Cc2cccc(-c3cccnc3)c2)CCN(C(=O)Cc2cccc(F)c2)CC1.
What is the InChIKey of 1-[2-(3-fluorophenyl)acetyl]-N-methyl-4-[(3-pyridin-3-ylphenyl)methyl]piperidine-4-carboxamide?
The InChIKey is MYSLEYLVKHXFAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28FN3O2/c1-29-26(33)27(18-21-6-2-7-22(15-21)23-8-4-12-30-19-23)10-13-31(14-11-27)25(32)17-20-5-3-9-24(28)16-20/h2-9,12,15-16,19H,10-11,13-14,17-18H2,1H3,(H,29,33).
What are the key properties of 1-[2-(3-fluorophenyl)acetyl]-N-methyl-4-[(3-pyridin-3-ylphenyl)methyl]piperidine-4-carboxamide?
1-[2-(3-fluorophenyl)acetyl]-N-methyl-4-[(3-pyridin-3-ylphenyl)methyl]piperidine-4-carboxamide has a molecular weight of 445.54 g/mol, XLogP of 4.03, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-fluorophenyl)acetyl]-N-methyl-4-[(3-pyridin-3-ylphenyl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 95805774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).