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

C26H26FN3O2 — CID 110232823

IUPAC3-[[3-(3-fluorophenyl)phenyl]methyl]-N-methyl-1-(pyridine-4-carbonyl)piperidine-3-carboxamide
SMILESCNC(=O)C1(Cc2cccc(-c3cccc(F)c3)c2)CCCN(C(=O)c2ccncc2)C1
InChIInChI=1S/C26H26FN3O2/c1-28-25(32)26(11-4-14-30(18-26)24(31)20-9-12-29-13-10-20)17-19-5-2-6-21(15-19)22-7-3-8-23(27)16-22/h2-3,5-10,12-13,15-16H,4,11,14,17-18H2,1H3,(H,28,32)
InChIKeyWWRRGNDWDGZBNK-UHFFFAOYSA-N
MW431.51 g/mol
LogP4.10
Rot. Bonds5

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

3-[[3-(3-fluorophenyl)phenyl]methyl]-N-methyl-1-(pyridine-4-carbonyl)piperidine-3-carboxamide (PubChem CID 110232823) has the molecular formula C26H26FN3O2 and a molecular weight of 431.51 g/mol. Its IUPAC name is 3-[[3-(3-fluorophenyl)phenyl]methyl]-N-methyl-1-(pyridine-4-carbonyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name3-[[3-(3-fluorophenyl)phenyl]methyl]-N-methyl-1-(pyridine-4-carbonyl)piperidine-3-carboxamide
PubChem CID110232823
Molecular FormulaC26H26FN3O2
Molecular Weight431.51 g/mol
Exact Mass431.20
IUPAC Name3-[[3-(3-fluorophenyl)phenyl]methyl]-N-methyl-1-(pyridine-4-carbonyl)piperidine-3-carboxamide
SMILESCNC(=O)C1(Cc2cccc(-c3cccc(F)c3)c2)CCCN(C(=O)c2ccncc2)C1
InChIInChI=1S/C26H26FN3O2/c1-28-25(32)26(11-4-14-30(18-26)24(31)20-9-12-29-13-10-20)17-19-5-2-6-21(15-19)22-7-3-8-23(27)16-22/h2-3,5-10,12-13,15-16H,4,11,14,17-18H2,1H3,(H,28,32)
InChIKeyWWRRGNDWDGZBNK-UHFFFAOYSA-N
XLogP4.10
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.51
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-N-ethyl-3-[[3-(3-fluorophenyl)phenyl]methyl]-1-(pyridine-4-carbonyl)piperidine-3-carboxamide
CID 92592125
(3S)-3-[[3-(3-fluorophenyl)phenyl]methyl]-N-methyl-1-[(1S,2R)-2-methylcyclopropanecarbonyl]piperidine-3-carboxamide
CID 95848804
(3S)-1-benzoyl-N-propan-2-yl-3-[(3-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide
CID 92579643
(3R)-3-[[3-(3-fluorophenyl)phenyl]methyl]-1-(pyridine-3-carbonyl)piperidine-3-carboxamide
CID 92569616
3-[[3-(4-methylphenyl)phenyl]methyl]-N-propan-2-yl-1-(pyridine-4-carbonyl)pyrrolidine-3-carboxamide
CID 110229728
(3R)-N-methyl-3-[(3-phenylphenyl)methyl]-1-propanoylpiperidine-3-carboxamide
CID 95850995
N-cyclopropyl-3-[[3-(3-fluorophenyl)phenyl]methyl]-1-propanoylpiperidine-3-carboxamide
CID 110243986
(3R)-N-propan-2-yl-1-(pyrazine-2-carbonyl)-3-[(3-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide
CID 92579676
1-[(3-fluorophenyl)methyl]-N-methyl-3-[(3-pyridin-3-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 110229581
(3R)-N,N-dimethyl-1-(pyridine-3-carbonyl)-3-[(3-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide
CID 92605015
(3S)-N,N-dimethyl-1-(pyridine-3-carbonyl)-3-[(3-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide
CID 92605016
N-methyl-1-(pyridin-2-ylmethyl)-3-[(3-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide
CID 110232080

Frequently Asked Questions

What is the IUPAC name of 3-[[3-(3-fluorophenyl)phenyl]methyl]-N-methyl-1-(pyridine-4-carbonyl)piperidine-3-carboxamide?
The IUPAC name of 3-[[3-(3-fluorophenyl)phenyl]methyl]-N-methyl-1-(pyridine-4-carbonyl)piperidine-3-carboxamide (CID 110232823) is 3-[[3-(3-fluorophenyl)phenyl]methyl]-N-methyl-1-(pyridine-4-carbonyl)piperidine-3-carboxamide.
What is the SMILES notation for 3-[[3-(3-fluorophenyl)phenyl]methyl]-N-methyl-1-(pyridine-4-carbonyl)piperidine-3-carboxamide?
The canonical SMILES for 3-[[3-(3-fluorophenyl)phenyl]methyl]-N-methyl-1-(pyridine-4-carbonyl)piperidine-3-carboxamide is CNC(=O)C1(Cc2cccc(-c3cccc(F)c3)c2)CCCN(C(=O)c2ccncc2)C1.
What is the InChIKey of 3-[[3-(3-fluorophenyl)phenyl]methyl]-N-methyl-1-(pyridine-4-carbonyl)piperidine-3-carboxamide?
The InChIKey is WWRRGNDWDGZBNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26FN3O2/c1-28-25(32)26(11-4-14-30(18-26)24(31)20-9-12-29-13-10-20)17-19-5-2-6-21(15-19)22-7-3-8-23(27)16-22/h2-3,5-10,12-13,15-16H,4,11,14,17-18H2,1H3,(H,28,32).
What are the key properties of 3-[[3-(3-fluorophenyl)phenyl]methyl]-N-methyl-1-(pyridine-4-carbonyl)piperidine-3-carboxamide?
3-[[3-(3-fluorophenyl)phenyl]methyl]-N-methyl-1-(pyridine-4-carbonyl)piperidine-3-carboxamide has a molecular weight of 431.51 g/mol, XLogP of 4.10, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(3-fluorophenyl)phenyl]methyl]-N-methyl-1-(pyridine-4-carbonyl)piperidine-3-carboxamide is sourced from PubChem (CID 110232823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).