1-[(2-chloro-6-fluorophenyl)methyl]-N-(2-phenylethyl)piperidine-4-carboxamide

C21H24ClFN2O — CID 2903396

IUPAC1-[(2-chloro-6-fluorophenyl)methyl]-N-(2-phenylethyl)piperidine-4-carboxamide
SMILESO=C(NCCc1ccccc1)C1CCN(Cc2c(F)cccc2Cl)CC1
InChIInChI=1S/C21H24ClFN2O/c22-19-7-4-8-20(23)18(19)15-25-13-10-17(11-14-25)21(26)24-12-9-16-5-2-1-3-6-16/h1-8,17H,9-15H2,(H,24,26)
InChIKeyOONYTECHKFYBFO-UHFFFAOYSA-N
MW374.89 g/mol
LogP4.05
Rot. Bonds6

About 1-[(2-chloro-6-fluorophenyl)methyl]-N-(2-phenylethyl)piperidine-4-carboxamide

1-[(2-chloro-6-fluorophenyl)methyl]-N-(2-phenylethyl)piperidine-4-carboxamide (PubChem CID 2903396) has the molecular formula C21H24ClFN2O and a molecular weight of 374.89 g/mol. Its IUPAC name is 1-[(2-chloro-6-fluorophenyl)methyl]-N-(2-phenylethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(2-chloro-6-fluorophenyl)methyl]-N-(2-phenylethyl)piperidine-4-carboxamide
PubChem CID2903396
Molecular FormulaC21H24ClFN2O
Molecular Weight374.89 g/mol
Exact Mass374.16
IUPAC Name1-[(2-chloro-6-fluorophenyl)methyl]-N-(2-phenylethyl)piperidine-4-carboxamide
SMILESO=C(NCCc1ccccc1)C1CCN(Cc2c(F)cccc2Cl)CC1
InChIInChI=1S/C21H24ClFN2O/c22-19-7-4-8-20(23)18(19)15-25-13-10-17(11-14-25)21(26)24-12-9-16-5-2-1-3-6-16/h1-8,17H,9-15H2,(H,24,26)
InChIKeyOONYTECHKFYBFO-UHFFFAOYSA-N
XLogP4.05
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.89
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2-chloro-6-fluorophenyl)methyl]-N-[2-(4-propan-2-ylphenyl)ethyl]piperidine-4-carboxamide
CID 45012835
1-[(2-chloro-6-fluorophenyl)methyl]-N-(2-methyl-1-phenylpropan-2-yl)piperidine-4-carboxamide
CID 100752301
1-[(2-chloro-6-fluorophenyl)methyl]-N-[3-(3-methoxyphenyl)propyl]piperidine-4-carboxamide
CID 45015752
N-(2-tert-butylsulfanylethyl)-1-[(2-chloro-6-fluorophenyl)methyl]piperidine-4-carboxamide
CID 53284596
1-[(2-chloro-6-fluorophenyl)methyl]-N-(2-chlorophenyl)piperidine-4-carboxamide
CID 45018841
1-[(2-chloro-6-fluorophenyl)methyl]-N-(pyridin-4-ylmethyl)piperidine-4-carboxamide
CID 53284574
1-[(2-chloro-6-fluorophenyl)methyl]-N-[(2-methylphenyl)methyl]piperidine-4-carboxamide
CID 45020578
1-benzyl-N-(3-phenylpropyl)piperidine-4-carboxamide
CID 46773938
1-[(2-chloro-6-fluorophenyl)methyl]-N-[(1R)-1-phenylethyl]piperidine-4-carboxamide
CID 7316831
4-benzyl-1-[(2-chloro-6-fluorophenyl)methyl]piperidine;oxalic acid
CID 163326693
N-tert-butyl-1-[(2-chloro-6-fluorophenyl)methyl]piperidine-4-carboxamide
CID 25249339
1-[(2-chloro-6-fluorophenyl)methyl]-N-[[4-(dimethylamino)phenyl]methyl]piperidine-4-carboxamide
CID 53284587

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chloro-6-fluorophenyl)methyl]-N-(2-phenylethyl)piperidine-4-carboxamide?
The IUPAC name of 1-[(2-chloro-6-fluorophenyl)methyl]-N-(2-phenylethyl)piperidine-4-carboxamide (CID 2903396) is 1-[(2-chloro-6-fluorophenyl)methyl]-N-(2-phenylethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[(2-chloro-6-fluorophenyl)methyl]-N-(2-phenylethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[(2-chloro-6-fluorophenyl)methyl]-N-(2-phenylethyl)piperidine-4-carboxamide is O=C(NCCc1ccccc1)C1CCN(Cc2c(F)cccc2Cl)CC1.
What is the InChIKey of 1-[(2-chloro-6-fluorophenyl)methyl]-N-(2-phenylethyl)piperidine-4-carboxamide?
The InChIKey is OONYTECHKFYBFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClFN2O/c22-19-7-4-8-20(23)18(19)15-25-13-10-17(11-14-25)21(26)24-12-9-16-5-2-1-3-6-16/h1-8,17H,9-15H2,(H,24,26).
What are the key properties of 1-[(2-chloro-6-fluorophenyl)methyl]-N-(2-phenylethyl)piperidine-4-carboxamide?
1-[(2-chloro-6-fluorophenyl)methyl]-N-(2-phenylethyl)piperidine-4-carboxamide has a molecular weight of 374.89 g/mol, XLogP of 4.05, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chloro-6-fluorophenyl)methyl]-N-(2-phenylethyl)piperidine-4-carboxamide is sourced from PubChem (CID 2903396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).