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

C27H28FN3O2 — CID 92604986

IUPAC(3S)-3-[[4-(2-fluorophenyl)phenyl]methyl]-N,N-dimethyl-1-(pyridine-2-carbonyl)piperidine-3-carboxamide
SMILESCN(C)C(=O)[C@]1(Cc2ccc(-c3ccccc3F)cc2)CCCN(C(=O)c2ccccn2)C1
InChIInChI=1S/C27H28FN3O2/c1-30(2)26(33)27(15-7-17-31(19-27)25(32)24-10-5-6-16-29-24)18-20-11-13-21(14-12-20)22-8-3-4-9-23(22)28/h3-6,8-14,16H,7,15,17-19H2,1-2H3/t27-/m0/s1
InChIKeyDSQRANRYYAURBW-MHZLTWQESA-N
MW445.54 g/mol
LogP4.44
Rot. Bonds5

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

(3S)-3-[[4-(2-fluorophenyl)phenyl]methyl]-N,N-dimethyl-1-(pyridine-2-carbonyl)piperidine-3-carboxamide (PubChem CID 92604986) has the molecular formula C27H28FN3O2 and a molecular weight of 445.54 g/mol. Its IUPAC name is (3S)-3-[[4-(2-fluorophenyl)phenyl]methyl]-N,N-dimethyl-1-(pyridine-2-carbonyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-3-[[4-(2-fluorophenyl)phenyl]methyl]-N,N-dimethyl-1-(pyridine-2-carbonyl)piperidine-3-carboxamide
PubChem CID92604986
Molecular FormulaC27H28FN3O2
Molecular Weight445.54 g/mol
Exact Mass445.22
IUPAC Name(3S)-3-[[4-(2-fluorophenyl)phenyl]methyl]-N,N-dimethyl-1-(pyridine-2-carbonyl)piperidine-3-carboxamide
SMILESCN(C)C(=O)[C@]1(Cc2ccc(-c3ccccc3F)cc2)CCCN(C(=O)c2ccccn2)C1
InChIInChI=1S/C27H28FN3O2/c1-30(2)26(33)27(15-7-17-31(19-27)25(32)24-10-5-6-16-29-24)18-20-11-13-21(14-12-20)22-8-3-4-9-23(22)28/h3-6,8-14,16H,7,15,17-19H2,1-2H3/t27-/m0/s1
InChIKeyDSQRANRYYAURBW-MHZLTWQESA-N
XLogP4.44
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.54
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-3-[[4-(2-fluorophenyl)phenyl]methyl]-N,N-dimethyl-1-(pyrazine-2-carbonyl)piperidine-3-carboxamide
CID 92605039
N,N-dimethyl-3-[(4-phenylphenyl)methyl]-1-(pyrazine-2-carbonyl)piperidine-3-carboxamide
CID 110232465
(3R)-3-[[4-(4-methylphenyl)phenyl]methyl]-1-(pyridine-2-carbonyl)piperidine-3-carboxamide
CID 92558246
(3R)-N,N-dimethyl-3-[(3-phenylphenyl)methyl]-1-(pyridine-2-carbonyl)pyrrolidine-3-carboxamide
CID 92605455
3-[(4-phenylphenyl)methyl]-N-propan-2-yl-1-(pyridine-2-carbonyl)piperidine-3-carboxamide
CID 110232491
(3S)-N,N-dimethyl-3-[(2-phenylphenyl)methyl]-1-(pyrazine-2-carbonyl)piperidine-3-carboxamide
CID 92605059
N,N-dimethyl-3-[(4-phenylphenyl)methyl]-1-(2-pyridin-2-ylacetyl)piperidine-3-carboxamide
CID 110232469
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-propanoylpiperidine-3-carboxamide
CID 92585108
1-butanoyl-4-[[4-(2-fluorophenyl)phenyl]methyl]-N,N-dimethylpiperidine-4-carboxamide
CID 110082392
(3R)-N,N-dimethyl-3-[(4-phenylphenyl)methyl]-1-propanoylpiperidine-3-carboxamide
CID 92585101

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[[4-(2-fluorophenyl)phenyl]methyl]-N,N-dimethyl-1-(pyridine-2-carbonyl)piperidine-3-carboxamide?
The IUPAC name of (3S)-3-[[4-(2-fluorophenyl)phenyl]methyl]-N,N-dimethyl-1-(pyridine-2-carbonyl)piperidine-3-carboxamide (CID 92604986) is (3S)-3-[[4-(2-fluorophenyl)phenyl]methyl]-N,N-dimethyl-1-(pyridine-2-carbonyl)piperidine-3-carboxamide.
What is the SMILES notation for (3S)-3-[[4-(2-fluorophenyl)phenyl]methyl]-N,N-dimethyl-1-(pyridine-2-carbonyl)piperidine-3-carboxamide?
The canonical SMILES for (3S)-3-[[4-(2-fluorophenyl)phenyl]methyl]-N,N-dimethyl-1-(pyridine-2-carbonyl)piperidine-3-carboxamide is CN(C)C(=O)[C@]1(Cc2ccc(-c3ccccc3F)cc2)CCCN(C(=O)c2ccccn2)C1.
What is the InChIKey of (3S)-3-[[4-(2-fluorophenyl)phenyl]methyl]-N,N-dimethyl-1-(pyridine-2-carbonyl)piperidine-3-carboxamide?
The InChIKey is DSQRANRYYAURBW-MHZLTWQESA-N. The full InChI is InChI=1S/C27H28FN3O2/c1-30(2)26(33)27(15-7-17-31(19-27)25(32)24-10-5-6-16-29-24)18-20-11-13-21(14-12-20)22-8-3-4-9-23(22)28/h3-6,8-14,16H,7,15,17-19H2,1-2H3/t27-/m0/s1.
What are the key properties of (3S)-3-[[4-(2-fluorophenyl)phenyl]methyl]-N,N-dimethyl-1-(pyridine-2-carbonyl)piperidine-3-carboxamide?
(3S)-3-[[4-(2-fluorophenyl)phenyl]methyl]-N,N-dimethyl-1-(pyridine-2-carbonyl)piperidine-3-carboxamide has a molecular weight of 445.54 g/mol, XLogP of 4.44, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[[4-(2-fluorophenyl)phenyl]methyl]-N,N-dimethyl-1-(pyridine-2-carbonyl)piperidine-3-carboxamide is sourced from PubChem (CID 92604986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).