N-benzhydryl-1-[(2-fluorophenyl)methyl]piperidine-3-carboxamide

C26H27FN2O — CID 43925897

IUPACN-benzhydryl-1-[(2-fluorophenyl)methyl]piperidine-3-carboxamide
SMILESO=C(NC(c1ccccc1)c1ccccc1)C1CCCN(Cc2ccccc2F)C1
InChIInChI=1S/C26H27FN2O/c27-24-16-8-7-14-22(24)18-29-17-9-15-23(19-29)26(30)28-25(20-10-3-1-4-11-20)21-12-5-2-6-13-21/h1-8,10-14,16,23,25H,9,15,17-19H2,(H,28,30)
InChIKeyLLPNBYQWBFYMAJ-UHFFFAOYSA-N
MW402.51 g/mol
LogP4.94
Rot. Bonds6

About N-benzhydryl-1-[(2-fluorophenyl)methyl]piperidine-3-carboxamide

N-benzhydryl-1-[(2-fluorophenyl)methyl]piperidine-3-carboxamide (PubChem CID 43925897) has the molecular formula C26H27FN2O and a molecular weight of 402.51 g/mol. Its IUPAC name is N-benzhydryl-1-[(2-fluorophenyl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-benzhydryl-1-[(2-fluorophenyl)methyl]piperidine-3-carboxamide
PubChem CID43925897
Molecular FormulaC26H27FN2O
Molecular Weight402.51 g/mol
Exact Mass402.21
IUPAC NameN-benzhydryl-1-[(2-fluorophenyl)methyl]piperidine-3-carboxamide
SMILESO=C(NC(c1ccccc1)c1ccccc1)C1CCCN(Cc2ccccc2F)C1
InChIInChI=1S/C26H27FN2O/c27-24-16-8-7-14-22(24)18-29-17-9-15-23(19-29)26(30)28-25(20-10-3-1-4-11-20)21-12-5-2-6-13-21/h1-8,10-14,16,23,25H,9,15,17-19H2,(H,28,30)
InChIKeyLLPNBYQWBFYMAJ-UHFFFAOYSA-N
XLogP4.94
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.51
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-N-benzhydryl-1-[(2-chlorophenyl)methyl]piperidine-3-carboxamide
CID 38102879
1-[(2-fluorophenyl)methyl]-N-pentan-2-ylpiperidine-3-carboxamide
CID 43924676
(3S)-N-benzhydryl-1-[(4-fluorophenyl)methyl]piperidine-3-carboxamide
CID 38102948
N-benzhydryl-1-[(2,4-dichlorophenyl)methyl]piperidine-3-carboxamide
CID 43925892
1-[(2-fluorophenyl)methyl]-N-methylpiperidine-3-carboxamide
CID 43918336
(3S)-N-benzhydryl-1-[(4-chlorophenyl)methyl]piperidine-3-carboxamide
CID 92851206
N-tert-butyl-1-[(2-fluorophenyl)methyl]piperidine-3-carboxamide
CID 43918466
1-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]ethanone
CID 63846661
azepan-1-yl-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]methanone
CID 756318
1-[(2-fluorophenyl)methyl]-N-naphthalen-1-ylpiperidine-3-carboxamide
CID 43919580
1-[(2-chlorophenyl)methyl]-N-(3-methyl-1-phenylbutyl)piperidine-3-carboxamide
CID 46776562
1-[(2-fluorophenyl)methyl]azepane;oxalic acid
CID 163328098

Frequently Asked Questions

What is the IUPAC name of N-benzhydryl-1-[(2-fluorophenyl)methyl]piperidine-3-carboxamide?
The IUPAC name of N-benzhydryl-1-[(2-fluorophenyl)methyl]piperidine-3-carboxamide (CID 43925897) is N-benzhydryl-1-[(2-fluorophenyl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for N-benzhydryl-1-[(2-fluorophenyl)methyl]piperidine-3-carboxamide?
The canonical SMILES for N-benzhydryl-1-[(2-fluorophenyl)methyl]piperidine-3-carboxamide is O=C(NC(c1ccccc1)c1ccccc1)C1CCCN(Cc2ccccc2F)C1.
What is the InChIKey of N-benzhydryl-1-[(2-fluorophenyl)methyl]piperidine-3-carboxamide?
The InChIKey is LLPNBYQWBFYMAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27FN2O/c27-24-16-8-7-14-22(24)18-29-17-9-15-23(19-29)26(30)28-25(20-10-3-1-4-11-20)21-12-5-2-6-13-21/h1-8,10-14,16,23,25H,9,15,17-19H2,(H,28,30).
What are the key properties of N-benzhydryl-1-[(2-fluorophenyl)methyl]piperidine-3-carboxamide?
N-benzhydryl-1-[(2-fluorophenyl)methyl]piperidine-3-carboxamide has a molecular weight of 402.51 g/mol, XLogP of 4.94, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzhydryl-1-[(2-fluorophenyl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 43925897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).