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

C13H16ClFN2O — CID 757768

IUPAC1-[(2-chloro-6-fluorophenyl)methyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(Cc2c(F)cccc2Cl)CC1
InChIInChI=1S/C13H16ClFN2O/c14-11-2-1-3-12(15)10(11)8-17-6-4-9(5-7-17)13(16)18/h1-3,9H,4-8H2,(H2,16,18)
InChIKeyVDEGFTATDPWFGH-UHFFFAOYSA-N
MW270.73 g/mol
LogP2.18
Rot. Bonds3

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

1-[(2-chloro-6-fluorophenyl)methyl]piperidine-4-carboxamide (PubChem CID 757768) has the molecular formula C13H16ClFN2O and a molecular weight of 270.73 g/mol. Its IUPAC name is 1-[(2-chloro-6-fluorophenyl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(2-chloro-6-fluorophenyl)methyl]piperidine-4-carboxamide
PubChem CID757768
Molecular FormulaC13H16ClFN2O
Molecular Weight270.73 g/mol
Exact Mass270.09
IUPAC Name1-[(2-chloro-6-fluorophenyl)methyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(Cc2c(F)cccc2Cl)CC1
InChIInChI=1S/C13H16ClFN2O/c14-11-2-1-3-12(15)10(11)8-17-6-4-9(5-7-17)13(16)18/h1-3,9H,4-8H2,(H2,16,18)
InChIKeyVDEGFTATDPWFGH-UHFFFAOYSA-N
XLogP2.18
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.73
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(S)-Amino-4-(2-chloro-benzylamino)-1-piperidin-1-yl-butan-1-one
CID 11232123
N-(2-chlorobenzyl)butanamide
CID 885659
N-[(2-chlorophenyl)methyl]pentanamide
CID 2218154
(S)-2-Amino-4-(4-chloro-benzylamino)-1-(4-fluoro-piperidin-1-yl)-butan-1-one
CID 11450265
(S)-2-Amino-4-(4-chloro-benzylamino)-1-(3-fluoro-piperidin-1-yl)-butan-1-one
CID 11450266
1-[4-(2-Chloro-benzyl)-piperazin-1-yl]-3-methyl-butan-1-one
CID 773315
N1-(2,4-dichlorobenzyl)piperidine-1,4-dicarboxamide
CID 46224990
1-(4-chlorobenzyl)-N-(propan-2-yl)piperidine-4-carboxamide
CID 762829
1'-(2-Chlorobenzyl)-1,4'-bipiperidine-4'-carboxamide
CID 1860675
1-(2-Chloro-4-fluorobenzyl)-4-(3-phenylpropanoyl)piperazine
CID 2970236
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

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chloro-6-fluorophenyl)methyl]piperidine-4-carboxamide?
The IUPAC name of 1-[(2-chloro-6-fluorophenyl)methyl]piperidine-4-carboxamide (CID 757768) is 1-[(2-chloro-6-fluorophenyl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[(2-chloro-6-fluorophenyl)methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[(2-chloro-6-fluorophenyl)methyl]piperidine-4-carboxamide is NC(=O)C1CCN(Cc2c(F)cccc2Cl)CC1.
What is the InChIKey of 1-[(2-chloro-6-fluorophenyl)methyl]piperidine-4-carboxamide?
The InChIKey is VDEGFTATDPWFGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClFN2O/c14-11-2-1-3-12(15)10(11)8-17-6-4-9(5-7-17)13(16)18/h1-3,9H,4-8H2,(H2,16,18).
What are the key properties of 1-[(2-chloro-6-fluorophenyl)methyl]piperidine-4-carboxamide?
1-[(2-chloro-6-fluorophenyl)methyl]piperidine-4-carboxamide has a molecular weight of 270.73 g/mol, XLogP of 2.18, 3 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]piperidine-4-carboxamide is sourced from PubChem (CID 757768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).