N-(4-chloro-3-fluorophenyl)-3-methylpiperidine-3-carboxamide

C13H16ClFN2O — CID 63130654

IUPACN-(4-chloro-3-fluorophenyl)-3-methylpiperidine-3-carboxamide
SMILESCC1(C(=O)Nc2ccc(Cl)c(F)c2)CCCNC1
InChIInChI=1S/C13H16ClFN2O/c1-13(5-2-6-16-8-13)12(18)17-9-3-4-10(14)11(15)7-9/h3-4,7,16H,2,5-6,8H2,1H3,(H,17,18)
InChIKeyMXAJWWVOXWZIJT-UHFFFAOYSA-N
MW270.73 g/mol
LogP2.81
Rot. Bonds2

About N-(4-chloro-3-fluorophenyl)-3-methylpiperidine-3-carboxamide

N-(4-chloro-3-fluorophenyl)-3-methylpiperidine-3-carboxamide (PubChem CID 63130654) has the molecular formula C13H16ClFN2O and a molecular weight of 270.73 g/mol. Its IUPAC name is N-(4-chloro-3-fluorophenyl)-3-methylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-3-fluorophenyl)-3-methylpiperidine-3-carboxamide
PubChem CID63130654
Molecular FormulaC13H16ClFN2O
Molecular Weight270.73 g/mol
Exact Mass270.09
IUPAC NameN-(4-chloro-3-fluorophenyl)-3-methylpiperidine-3-carboxamide
SMILESCC1(C(=O)Nc2ccc(Cl)c(F)c2)CCCNC1
InChIInChI=1S/C13H16ClFN2O/c1-13(5-2-6-16-8-13)12(18)17-9-3-4-10(14)11(15)7-9/h3-4,7,16H,2,5-6,8H2,1H3,(H,17,18)
InChIKeyMXAJWWVOXWZIJT-UHFFFAOYSA-N
XLogP2.81
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.73
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-chlorophenyl)-3-methylpiperidine-3-carboxamide
CID 63132655
N-(3,4-dichlorophenyl)-3-methylpyrrolidine-3-carboxamide;hydrochloride
CID 119670891
N-[4-(difluoromethoxy)-3-fluorophenyl]-3-methylpiperidine-3-carboxamide;hydrochloride
CID 119944743
N-(4-ethoxy-3-fluorophenyl)-3-methylpiperidine-3-carboxamide;hydrochloride
CID 119944880
N-(4-chloro-3-fluorophenyl)-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106979908
N-(4-acetamidophenyl)-3-methylpiperidine-3-carboxamide;hydrochloride
CID 119943521
N-(3-chloro-4-propan-2-yloxyphenyl)-3-methylpiperidine-3-carboxamide;hydrochloride
CID 119944398
N-(3-fluoro-4-methylphenyl)-3-methylpyrrolidine-3-carboxamide
CID 55165517
N-(3-chloro-4-methylphenyl)-3-methylpyrrolidine-3-carboxamide
CID 63140585
3-methyl-N-[4-(methylcarbamoylamino)phenyl]piperidine-3-carboxamide
CID 63131065
3-methyl-N-pyridin-4-ylpiperidine-3-carboxamide;dihydrochloride
CID 119946059
N-[4-(hydroxymethyl)phenyl]-3-methylpiperidine-3-carboxamide
CID 113397758

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-3-fluorophenyl)-3-methylpiperidine-3-carboxamide?
The IUPAC name of N-(4-chloro-3-fluorophenyl)-3-methylpiperidine-3-carboxamide (CID 63130654) is N-(4-chloro-3-fluorophenyl)-3-methylpiperidine-3-carboxamide.
What is the SMILES notation for N-(4-chloro-3-fluorophenyl)-3-methylpiperidine-3-carboxamide?
The canonical SMILES for N-(4-chloro-3-fluorophenyl)-3-methylpiperidine-3-carboxamide is CC1(C(=O)Nc2ccc(Cl)c(F)c2)CCCNC1.
What is the InChIKey of N-(4-chloro-3-fluorophenyl)-3-methylpiperidine-3-carboxamide?
The InChIKey is MXAJWWVOXWZIJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClFN2O/c1-13(5-2-6-16-8-13)12(18)17-9-3-4-10(14)11(15)7-9/h3-4,7,16H,2,5-6,8H2,1H3,(H,17,18).
What are the key properties of N-(4-chloro-3-fluorophenyl)-3-methylpiperidine-3-carboxamide?
N-(4-chloro-3-fluorophenyl)-3-methylpiperidine-3-carboxamide has a molecular weight of 270.73 g/mol, XLogP of 2.81, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-3-fluorophenyl)-3-methylpiperidine-3-carboxamide is sourced from PubChem (CID 63130654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).