1-[(2-fluorophenyl)methyl]-N-[2-(pyridin-3-ylmethylcarbamoyl)phenyl]piperidine-3-carboxamide

C26H27FN4O2 — CID 43925593

IUPAC1-[(2-fluorophenyl)methyl]-N-[2-(pyridin-3-ylmethylcarbamoyl)phenyl]piperidine-3-carboxamide
SMILESO=C(NCc1cccnc1)c1ccccc1NC(=O)C1CCCN(Cc2ccccc2F)C1
InChIInChI=1S/C26H27FN4O2/c27-23-11-3-1-8-20(23)17-31-14-6-9-21(18-31)25(32)30-24-12-4-2-10-22(24)26(33)29-16-19-7-5-13-28-15-19/h1-5,7-8,10-13,15,21H,6,9,14,16-18H2,(H,29,33)(H,30,32)
InChIKeyNHBUZZJBJOCMTG-UHFFFAOYSA-N
MW446.53 g/mol
LogP4.00
Rot. Bonds7

About 1-[(2-fluorophenyl)methyl]-N-[2-(pyridin-3-ylmethylcarbamoyl)phenyl]piperidine-3-carboxamide

1-[(2-fluorophenyl)methyl]-N-[2-(pyridin-3-ylmethylcarbamoyl)phenyl]piperidine-3-carboxamide (PubChem CID 43925593) has the molecular formula C26H27FN4O2 and a molecular weight of 446.53 g/mol. Its IUPAC name is 1-[(2-fluorophenyl)methyl]-N-[2-(pyridin-3-ylmethylcarbamoyl)phenyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[(2-fluorophenyl)methyl]-N-[2-(pyridin-3-ylmethylcarbamoyl)phenyl]piperidine-3-carboxamide
PubChem CID43925593
Molecular FormulaC26H27FN4O2
Molecular Weight446.53 g/mol
Exact Mass446.21
IUPAC Name1-[(2-fluorophenyl)methyl]-N-[2-(pyridin-3-ylmethylcarbamoyl)phenyl]piperidine-3-carboxamide
SMILESO=C(NCc1cccnc1)c1ccccc1NC(=O)C1CCCN(Cc2ccccc2F)C1
InChIInChI=1S/C26H27FN4O2/c27-23-11-3-1-8-20(23)17-31-14-6-9-21(18-31)25(32)30-24-12-4-2-10-22(24)26(33)29-16-19-7-5-13-28-15-19/h1-5,7-8,10-13,15,21H,6,9,14,16-18H2,(H,29,33)(H,30,32)
InChIKeyNHBUZZJBJOCMTG-UHFFFAOYSA-N
XLogP4.00
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.53
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[(2-fluorophenyl)methyl]-N-[2-(pyridin-3-ylmethylcarbamoyl)phenyl]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)-1-[(4-fluorophenyl)methyl]-N-[2-(pyridin-3-ylmethylcarbamoyl)phenyl]piperidine-3-carboxamide
CID 38100346
1-[(4-chlorophenyl)methyl]-N-[2-(pyridin-3-ylmethylcarbamoyl)phenyl]piperidine-3-carboxamide
CID 43925587
1-[(2,4-dichlorophenyl)methyl]-N-[2-(pyridin-3-ylmethylcarbamoyl)phenyl]piperidine-3-carboxamide
CID 43925588
1-[(4-chlorophenyl)methyl]-N-[2-(pyridin-3-ylmethylcarbamoyl)phenyl]piperidine-4-carboxamide
CID 45008188
1-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[2-(pyridin-3-ylmethylcarbamoyl)phenyl]piperidine-3-carboxamide
CID 43932561
1-[(2-fluorophenyl)methyl]-N-naphthalen-1-ylpiperidine-3-carboxamide
CID 43919580
N-[2-(benzylcarbamoyl)phenyl]-1-[(3,4-dichlorophenyl)methyl]piperidine-3-carboxamide
CID 43923445
1-[(4-fluorophenyl)methyl]-N-[2-(propylcarbamoyl)phenyl]piperidine-3-carboxamide
CID 43925204
N-[(2-fluorophenyl)methyl]-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide
CID 70762061
N-[2-(butylcarbamoyl)phenyl]-1-[(2-methylphenyl)methyl]piperidine-3-carboxamide
CID 43925218
N-[2-(furan-2-ylmethylcarbamoyl)phenyl]-1-[(2-methylphenyl)methyl]piperidine-3-carboxamide
CID 43923638
N-(2-ethoxyphenyl)-1-[(2-fluorophenyl)methyl]piperidine-3-carboxamide
CID 43919730

Frequently Asked Questions

What is the IUPAC name of 1-[(2-fluorophenyl)methyl]-N-[2-(pyridin-3-ylmethylcarbamoyl)phenyl]piperidine-3-carboxamide?
The IUPAC name of 1-[(2-fluorophenyl)methyl]-N-[2-(pyridin-3-ylmethylcarbamoyl)phenyl]piperidine-3-carboxamide (CID 43925593) is 1-[(2-fluorophenyl)methyl]-N-[2-(pyridin-3-ylmethylcarbamoyl)phenyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-[(2-fluorophenyl)methyl]-N-[2-(pyridin-3-ylmethylcarbamoyl)phenyl]piperidine-3-carboxamide?
The canonical SMILES for 1-[(2-fluorophenyl)methyl]-N-[2-(pyridin-3-ylmethylcarbamoyl)phenyl]piperidine-3-carboxamide is O=C(NCc1cccnc1)c1ccccc1NC(=O)C1CCCN(Cc2ccccc2F)C1.
What is the InChIKey of 1-[(2-fluorophenyl)methyl]-N-[2-(pyridin-3-ylmethylcarbamoyl)phenyl]piperidine-3-carboxamide?
The InChIKey is NHBUZZJBJOCMTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27FN4O2/c27-23-11-3-1-8-20(23)17-31-14-6-9-21(18-31)25(32)30-24-12-4-2-10-22(24)26(33)29-16-19-7-5-13-28-15-19/h1-5,7-8,10-13,15,21H,6,9,14,16-18H2,(H,29,33)(H,30,32).
What are the key properties of 1-[(2-fluorophenyl)methyl]-N-[2-(pyridin-3-ylmethylcarbamoyl)phenyl]piperidine-3-carboxamide?
1-[(2-fluorophenyl)methyl]-N-[2-(pyridin-3-ylmethylcarbamoyl)phenyl]piperidine-3-carboxamide has a molecular weight of 446.53 g/mol, XLogP of 4.00, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-fluorophenyl)methyl]-N-[2-(pyridin-3-ylmethylcarbamoyl)phenyl]piperidine-3-carboxamide is sourced from PubChem (CID 43925593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).