N-(4-chloro-3-fluorophenyl)-4-methylpiperidine-1-carboxamide

C13H16ClFN2O — CID 113223585

IUPACN-(4-chloro-3-fluorophenyl)-4-methylpiperidine-1-carboxamide
SMILESCC1CCN(C(=O)Nc2ccc(Cl)c(F)c2)CC1
InChIInChI=1S/C13H16ClFN2O/c1-9-4-6-17(7-5-9)13(18)16-10-2-3-11(14)12(15)8-10/h2-3,8-9H,4-7H2,1H3,(H,16,18)
InChIKeyRDEHNQIEGKECCM-UHFFFAOYSA-N
MW270.73 g/mol
LogP3.74
Rot. Bonds1

About N-(4-chloro-3-fluorophenyl)-4-methylpiperidine-1-carboxamide

N-(4-chloro-3-fluorophenyl)-4-methylpiperidine-1-carboxamide (PubChem CID 113223585) has the molecular formula C13H16ClFN2O and a molecular weight of 270.73 g/mol. Its IUPAC name is N-(4-chloro-3-fluorophenyl)-4-methylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-3-fluorophenyl)-4-methylpiperidine-1-carboxamide
PubChem CID113223585
Molecular FormulaC13H16ClFN2O
Molecular Weight270.73 g/mol
Exact Mass270.09
IUPAC NameN-(4-chloro-3-fluorophenyl)-4-methylpiperidine-1-carboxamide
SMILESCC1CCN(C(=O)Nc2ccc(Cl)c(F)c2)CC1
InChIInChI=1S/C13H16ClFN2O/c1-9-4-6-17(7-5-9)13(18)16-10-2-3-11(14)12(15)8-10/h2-3,8-9H,4-7H2,1H3,(H,16,18)
InChIKeyRDEHNQIEGKECCM-UHFFFAOYSA-N
XLogP3.74
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.73
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(3-chloro-4-fluorophenyl)-3,6-dimethylazocane-1-carboxamide
CID 144845950
2-fluoro-4-[(4-methylpiperidine-1-carbonyl)amino]benzoic acid
CID 107793053
N-(4-chloro-3-fluorophenyl)morpholine-4-carboxamide
CID 47223545
1-[(4-chloro-3-fluorophenyl)carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122102090
1-[(4-chloro-3-fluorophenyl)carbamoyl]-4-methylpiperidine-4-carboxylic acid
CID 63124130
N-(3-chloro-5-fluorophenyl)-4-methylpiperidine-1-carboxamide
CID 103774793
N-(3-chlorophenyl)-4-methylpiperidine-1-carboxamide
CID 707662
2-[4-[(4-chloro-3-fluorophenyl)carbamoyl]piperazin-1-yl]acetic acid
CID 61468063
N-(2-chloro-4-fluorophenyl)-4-methylpiperidine-1-carboxamide
CID 113223020
N-(4-chloro-3-fluorophenyl)-4-[2-(2-methylimidazol-1-yl)ethyl]piperidine-1-carboxamide
CID 72877104
N-[5-[(4-chloro-3-fluorophenyl)carbamoyl]-1-methylpyrazol-3-yl]-4-hydroxypiperidine-1-carboxamide
CID 122693283
3-ethyl-N-(3-fluoro-4-methylphenyl)-6-methylazocane-1-carboxamide
CID 144845910

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-3-fluorophenyl)-4-methylpiperidine-1-carboxamide?
The IUPAC name of N-(4-chloro-3-fluorophenyl)-4-methylpiperidine-1-carboxamide (CID 113223585) is N-(4-chloro-3-fluorophenyl)-4-methylpiperidine-1-carboxamide.
What is the SMILES notation for N-(4-chloro-3-fluorophenyl)-4-methylpiperidine-1-carboxamide?
The canonical SMILES for N-(4-chloro-3-fluorophenyl)-4-methylpiperidine-1-carboxamide is CC1CCN(C(=O)Nc2ccc(Cl)c(F)c2)CC1.
What is the InChIKey of N-(4-chloro-3-fluorophenyl)-4-methylpiperidine-1-carboxamide?
The InChIKey is RDEHNQIEGKECCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClFN2O/c1-9-4-6-17(7-5-9)13(18)16-10-2-3-11(14)12(15)8-10/h2-3,8-9H,4-7H2,1H3,(H,16,18).
What are the key properties of N-(4-chloro-3-fluorophenyl)-4-methylpiperidine-1-carboxamide?
N-(4-chloro-3-fluorophenyl)-4-methylpiperidine-1-carboxamide has a molecular weight of 270.73 g/mol, XLogP of 3.74, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-3-fluorophenyl)-4-methylpiperidine-1-carboxamide is sourced from PubChem (CID 113223585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).