N-[(2-chlorophenyl)methyl]-1-[[2-(2-fluorophenyl)phenyl]methyl]piperidine-4-carboxamide

C26H26ClFN2O — CID 134795929

IUPACN-[(2-chlorophenyl)methyl]-1-[[2-(2-fluorophenyl)phenyl]methyl]piperidine-4-carboxamide
SMILESO=C(NCc1ccccc1Cl)C1CCN(Cc2ccccc2-c2ccccc2F)CC1
InChIInChI=1S/C26H26ClFN2O/c27-24-11-5-2-7-20(24)17-29-26(31)19-13-15-30(16-14-19)18-21-8-1-3-9-22(21)23-10-4-6-12-25(23)28/h1-12,19H,13-18H2,(H,29,31)
InChIKeyJRANLFKPBNBQAF-UHFFFAOYSA-N
MW436.96 g/mol
LogP5.67
Rot. Bonds6

About N-[(2-chlorophenyl)methyl]-1-[[2-(2-fluorophenyl)phenyl]methyl]piperidine-4-carboxamide

N-[(2-chlorophenyl)methyl]-1-[[2-(2-fluorophenyl)phenyl]methyl]piperidine-4-carboxamide (PubChem CID 134795929) has the molecular formula C26H26ClFN2O and a molecular weight of 436.96 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-1-[[2-(2-fluorophenyl)phenyl]methyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-1-[[2-(2-fluorophenyl)phenyl]methyl]piperidine-4-carboxamide
PubChem CID134795929
Molecular FormulaC26H26ClFN2O
Molecular Weight436.96 g/mol
Exact Mass436.17
IUPAC NameN-[(2-chlorophenyl)methyl]-1-[[2-(2-fluorophenyl)phenyl]methyl]piperidine-4-carboxamide
SMILESO=C(NCc1ccccc1Cl)C1CCN(Cc2ccccc2-c2ccccc2F)CC1
InChIInChI=1S/C26H26ClFN2O/c27-24-11-5-2-7-20(24)17-29-26(31)19-13-15-30(16-14-19)18-21-8-1-3-9-22(21)23-10-4-6-12-25(23)28/h1-12,19H,13-18H2,(H,29,31)
InChIKeyJRANLFKPBNBQAF-UHFFFAOYSA-N
XLogP5.67
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.96
LogP ≤ 55.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 46931619
N-(1-benzylpiperidin-4-yl)-2-(2-chloro-6-fluorophenyl)acetamide
CID 17173959
1-(4-((4-Chlorophenyl)(phenyl)methyl)piperazin-1-yl)-4-(cyclohexylmethylamino)butan-1-one
CID 25195536
4-(4-Isopropylbenzylamino)-1-(4-((4-chlorophenyl)(phenyl)methyl)piperazin-1-yl)butan-1-one
CID 25221265
(4R,5R)-5-amino-1-benzyl-4-(2-chlorophenyl)piperidin-2-one
CID 16203032
N~4~-(2-chloro-4-fluorobenzyl)-N~1~,N~1~-dimethylpiperidine-1,4-dicarboxamide
CID 3242928
1-[(4-chlorophenyl)methyl]-N-cyclohexylpiperidine-4-carboxamide
CID 3889245
N-[(2-chloro-4-fluorophenyl)methyl]-1-piperidin-1-ylsulfonylpiperidine-4-carboxamide
CID 5165086
N-Benzyl-2-[(3R,4S)-4-(4-chloro-phenyl)-1-methyl-piperidin-3-yl]-acetamide
CID 11314302
3-[1-(3-chlorobenzyl)piperidin-3-yl]-N-(2-fluorobenzyl)propanamide
CID 16190776
2-[1-(2-chloro-6-fluorobenzyl)-3-oxo-2-piperazinyl]-N-(2-methylbenzyl)acetamide
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Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-1-[[2-(2-fluorophenyl)phenyl]methyl]piperidine-4-carboxamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-1-[[2-(2-fluorophenyl)phenyl]methyl]piperidine-4-carboxamide (CID 134795929) is N-[(2-chlorophenyl)methyl]-1-[[2-(2-fluorophenyl)phenyl]methyl]piperidine-4-carboxamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-1-[[2-(2-fluorophenyl)phenyl]methyl]piperidine-4-carboxamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-1-[[2-(2-fluorophenyl)phenyl]methyl]piperidine-4-carboxamide is O=C(NCc1ccccc1Cl)C1CCN(Cc2ccccc2-c2ccccc2F)CC1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-1-[[2-(2-fluorophenyl)phenyl]methyl]piperidine-4-carboxamide?
The InChIKey is JRANLFKPBNBQAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26ClFN2O/c27-24-11-5-2-7-20(24)17-29-26(31)19-13-15-30(16-14-19)18-21-8-1-3-9-22(21)23-10-4-6-12-25(23)28/h1-12,19H,13-18H2,(H,29,31).
What are the key properties of N-[(2-chlorophenyl)methyl]-1-[[2-(2-fluorophenyl)phenyl]methyl]piperidine-4-carboxamide?
N-[(2-chlorophenyl)methyl]-1-[[2-(2-fluorophenyl)phenyl]methyl]piperidine-4-carboxamide has a molecular weight of 436.96 g/mol, XLogP of 5.67, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-1-[[2-(2-fluorophenyl)phenyl]methyl]piperidine-4-carboxamide is sourced from PubChem (CID 134795929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).