(3S)-3-[[4-(2-fluorophenyl)phenyl]methyl]-N,N-dimethyl-1-(pyrazine-2-carbonyl)piperidine-3-carboxamide

C26H27FN4O2 — CID 92605039

IUPAC(3S)-3-[[4-(2-fluorophenyl)phenyl]methyl]-N,N-dimethyl-1-(pyrazine-2-carbonyl)piperidine-3-carboxamide
SMILESCN(C)C(=O)[C@]1(Cc2ccc(-c3ccccc3F)cc2)CCCN(C(=O)c2cnccn2)C1
InChIInChI=1S/C26H27FN4O2/c1-30(2)25(33)26(12-5-15-31(18-26)24(32)23-17-28-13-14-29-23)16-19-8-10-20(11-9-19)21-6-3-4-7-22(21)27/h3-4,6-11,13-14,17H,5,12,15-16,18H2,1-2H3/t26-/m0/s1
InChIKeyZSOIHQOVQLXHGI-SANMLTNESA-N
MW446.53 g/mol
LogP3.84
Rot. Bonds5

About (3S)-3-[[4-(2-fluorophenyl)phenyl]methyl]-N,N-dimethyl-1-(pyrazine-2-carbonyl)piperidine-3-carboxamide

(3S)-3-[[4-(2-fluorophenyl)phenyl]methyl]-N,N-dimethyl-1-(pyrazine-2-carbonyl)piperidine-3-carboxamide (PubChem CID 92605039) has the molecular formula C26H27FN4O2 and a molecular weight of 446.53 g/mol. Its IUPAC name is (3S)-3-[[4-(2-fluorophenyl)phenyl]methyl]-N,N-dimethyl-1-(pyrazine-2-carbonyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-3-[[4-(2-fluorophenyl)phenyl]methyl]-N,N-dimethyl-1-(pyrazine-2-carbonyl)piperidine-3-carboxamide
PubChem CID92605039
Molecular FormulaC26H27FN4O2
Molecular Weight446.53 g/mol
Exact Mass446.21
IUPAC Name(3S)-3-[[4-(2-fluorophenyl)phenyl]methyl]-N,N-dimethyl-1-(pyrazine-2-carbonyl)piperidine-3-carboxamide
SMILESCN(C)C(=O)[C@]1(Cc2ccc(-c3ccccc3F)cc2)CCCN(C(=O)c2cnccn2)C1
InChIInChI=1S/C26H27FN4O2/c1-30(2)25(33)26(12-5-15-31(18-26)24(32)23-17-28-13-14-29-23)16-19-8-10-20(11-9-19)21-6-3-4-7-22(21)27/h3-4,6-11,13-14,17H,5,12,15-16,18H2,1-2H3/t26-/m0/s1
InChIKeyZSOIHQOVQLXHGI-SANMLTNESA-N
XLogP3.84
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.53
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (3S)-3-[[4-(2-fluorophenyl)phenyl]methyl]-N,N-dimethyl-1-(pyrazine-2-carbonyl)piperidine-3-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

(3S)-3-[[4-(2-fluorophenyl)phenyl]methyl]-N,N-dimethyl-1-(pyridine-2-carbonyl)piperidine-3-carboxamide
CID 92604986
N,N-dimethyl-3-[(4-phenylphenyl)methyl]-1-(pyrazine-2-carbonyl)piperidine-3-carboxamide
CID 110232465
(3S)-N,N-dimethyl-3-[(2-phenylphenyl)methyl]-1-(pyrazine-2-carbonyl)piperidine-3-carboxamide
CID 92605059
4-[[4-(2-fluorophenyl)phenyl]methyl]-N,N-dimethyl-1-(pyridine-3-carbonyl)piperidine-4-carboxamide
CID 155982895
1-[(1,5-dimethylpyrazol-4-yl)methyl]-3-[[4-(2-fluorophenyl)phenyl]methyl]-N,N-dimethylpiperidine-3-carboxamide
CID 110232563
(3S)-3-[[4-(2-fluorophenyl)phenyl]methyl]-1-(2-pyridin-3-ylacetyl)piperidine-3-carboxamide
CID 92573903
(3S)-3-[[4-(2-fluorophenyl)phenyl]methyl]-1-propanoylpiperidine-3-carboxamide
CID 92585108
1-butanoyl-4-[[4-(2-fluorophenyl)phenyl]methyl]-N,N-dimethylpiperidine-4-carboxamide
CID 110082392
(3R)-1-(cyclopropanecarbonyl)-N,N-dimethyl-3-[(4-phenylphenyl)methyl]piperidine-3-carboxamide
CID 92604751
1-(cyclopropanecarbonyl)-N,N-dimethyl-3-[(4-phenylphenyl)methyl]piperidine-3-carboxamide
CID 110232463
(3R)-N-propan-2-yl-1-(pyrazine-2-carbonyl)-3-[(3-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide
CID 92579676
(3S)-1-(2-ethylbutanoyl)-N,N-dimethyl-3-[(4-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide
CID 92585889

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[[4-(2-fluorophenyl)phenyl]methyl]-N,N-dimethyl-1-(pyrazine-2-carbonyl)piperidine-3-carboxamide?
The IUPAC name of (3S)-3-[[4-(2-fluorophenyl)phenyl]methyl]-N,N-dimethyl-1-(pyrazine-2-carbonyl)piperidine-3-carboxamide (CID 92605039) is (3S)-3-[[4-(2-fluorophenyl)phenyl]methyl]-N,N-dimethyl-1-(pyrazine-2-carbonyl)piperidine-3-carboxamide.
What is the SMILES notation for (3S)-3-[[4-(2-fluorophenyl)phenyl]methyl]-N,N-dimethyl-1-(pyrazine-2-carbonyl)piperidine-3-carboxamide?
The canonical SMILES for (3S)-3-[[4-(2-fluorophenyl)phenyl]methyl]-N,N-dimethyl-1-(pyrazine-2-carbonyl)piperidine-3-carboxamide is CN(C)C(=O)[C@]1(Cc2ccc(-c3ccccc3F)cc2)CCCN(C(=O)c2cnccn2)C1.
What is the InChIKey of (3S)-3-[[4-(2-fluorophenyl)phenyl]methyl]-N,N-dimethyl-1-(pyrazine-2-carbonyl)piperidine-3-carboxamide?
The InChIKey is ZSOIHQOVQLXHGI-SANMLTNESA-N. The full InChI is InChI=1S/C26H27FN4O2/c1-30(2)25(33)26(12-5-15-31(18-26)24(32)23-17-28-13-14-29-23)16-19-8-10-20(11-9-19)21-6-3-4-7-22(21)27/h3-4,6-11,13-14,17H,5,12,15-16,18H2,1-2H3/t26-/m0/s1.
What are the key properties of (3S)-3-[[4-(2-fluorophenyl)phenyl]methyl]-N,N-dimethyl-1-(pyrazine-2-carbonyl)piperidine-3-carboxamide?
(3S)-3-[[4-(2-fluorophenyl)phenyl]methyl]-N,N-dimethyl-1-(pyrazine-2-carbonyl)piperidine-3-carboxamide has a molecular weight of 446.53 g/mol, XLogP of 3.84, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[[4-(2-fluorophenyl)phenyl]methyl]-N,N-dimethyl-1-(pyrazine-2-carbonyl)piperidine-3-carboxamide is sourced from PubChem (CID 92605039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).