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

C25H26FN3O — CID 110232340

IUPAC1-[(4-fluorophenyl)methyl]-3-[(4-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide
SMILESNC(=O)C1(Cc2ccc(-c3ccncc3)cc2)CCCN(Cc2ccc(F)cc2)C1
InChIInChI=1S/C25H26FN3O/c26-23-8-4-20(5-9-23)17-29-15-1-12-25(18-29,24(27)30)16-19-2-6-21(7-3-19)22-10-13-28-14-11-22/h2-11,13-14H,1,12,15-18H2,(H2,27,30)
InChIKeyWRYBZWILLGNBHY-UHFFFAOYSA-N
MW403.50 g/mol
LogP4.20
Rot. Bonds6

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

1-[(4-fluorophenyl)methyl]-3-[(4-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide (PubChem CID 110232340) has the molecular formula C25H26FN3O and a molecular weight of 403.50 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]-3-[(4-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl]-3-[(4-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide
PubChem CID110232340
Molecular FormulaC25H26FN3O
Molecular Weight403.50 g/mol
Exact Mass403.21
IUPAC Name1-[(4-fluorophenyl)methyl]-3-[(4-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide
SMILESNC(=O)C1(Cc2ccc(-c3ccncc3)cc2)CCCN(Cc2ccc(F)cc2)C1
InChIInChI=1S/C25H26FN3O/c26-23-8-4-20(5-9-23)17-29-15-1-12-25(18-29,24(27)30)16-19-2-6-21(7-3-19)22-10-13-28-14-11-22/h2-11,13-14H,1,12,15-18H2,(H2,27,30)
InChIKeyWRYBZWILLGNBHY-UHFFFAOYSA-N
XLogP4.20
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.50
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3,5-dimethoxyphenyl)methyl]-3-[(4-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide
CID 110232347
1-[(2-fluorophenyl)methyl]-N-methyl-3-[(4-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide
CID 110232298
(3S)-N-propan-2-yl-1-(pyridin-4-ylmethyl)-3-[(4-pyridin-4-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 92580024
1-[(4-fluorophenyl)methyl]-3-propylpiperidine-3-carboxylic acid
CID 63141029
(3R)-1-[(4-fluorophenyl)methyl]-3-hydroxypiperidine-3-carboxamide
CID 129483740
(3R)-N-propan-2-yl-1-(pyridin-3-ylmethyl)-3-[(4-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide
CID 92579692
(3R)-3-[(4-fluorophenyl)methyl]-1-(pyridin-2-ylmethyl)piperidine-3-carboxylic acid
CID 95558835
ethyl (3S)-3-[[3-(4-fluorophenyl)-1,2-oxazol-5-yl]methyl]-1-(pyridin-4-ylmethyl)piperidine-3-carboxylate
CID 95853676
(3S)-N-methyl-1-(pyridin-2-ylmethyl)-3-[(4-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide
CID 92609608
(3R)-N-propyl-1-(pyridin-3-ylmethyl)-3-[(4-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide
CID 92587333
(3R)-1-butanoyl-3-[(4-pyridin-4-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 92586217
(3S)-1-benzyl-3-[(2-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide
CID 92574804

Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methyl]-3-[(4-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide?
The IUPAC name of 1-[(4-fluorophenyl)methyl]-3-[(4-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide (CID 110232340) is 1-[(4-fluorophenyl)methyl]-3-[(4-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl]-3-[(4-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide?
The canonical SMILES for 1-[(4-fluorophenyl)methyl]-3-[(4-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide is NC(=O)C1(Cc2ccc(-c3ccncc3)cc2)CCCN(Cc2ccc(F)cc2)C1.
What is the InChIKey of 1-[(4-fluorophenyl)methyl]-3-[(4-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide?
The InChIKey is WRYBZWILLGNBHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26FN3O/c26-23-8-4-20(5-9-23)17-29-15-1-12-25(18-29,24(27)30)16-19-2-6-21(7-3-19)22-10-13-28-14-11-22/h2-11,13-14H,1,12,15-18H2,(H2,27,30).
What are the key properties of 1-[(4-fluorophenyl)methyl]-3-[(4-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide?
1-[(4-fluorophenyl)methyl]-3-[(4-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide has a molecular weight of 403.50 g/mol, XLogP of 4.20, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methyl]-3-[(4-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 110232340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).