N-(2-chloro-4-fluorophenyl)-4-methylpiperidine-1-carboxamide

C13H16ClFN2O — CID 113223020

IUPACN-(2-chloro-4-fluorophenyl)-4-methylpiperidine-1-carboxamide
SMILESCC1CCN(C(=O)Nc2ccc(F)cc2Cl)CC1
InChIInChI=1S/C13H16ClFN2O/c1-9-4-6-17(7-5-9)13(18)16-12-3-2-10(15)8-11(12)14/h2-3,8-9H,4-7H2,1H3,(H,16,18)
InChIKeyUXUVMSVSMKIBHR-UHFFFAOYSA-N
MW270.73 g/mol
LogP3.74
Rot. Bonds1

About N-(2-chloro-4-fluorophenyl)-4-methylpiperidine-1-carboxamide

N-(2-chloro-4-fluorophenyl)-4-methylpiperidine-1-carboxamide (PubChem CID 113223020) has the molecular formula C13H16ClFN2O and a molecular weight of 270.73 g/mol. Its IUPAC name is N-(2-chloro-4-fluorophenyl)-4-methylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-4-fluorophenyl)-4-methylpiperidine-1-carboxamide
PubChem CID113223020
Molecular FormulaC13H16ClFN2O
Molecular Weight270.73 g/mol
Exact Mass270.09
IUPAC NameN-(2-chloro-4-fluorophenyl)-4-methylpiperidine-1-carboxamide
SMILESCC1CCN(C(=O)Nc2ccc(F)cc2Cl)CC1
InChIInChI=1S/C13H16ClFN2O/c1-9-4-6-17(7-5-9)13(18)16-12-3-2-10(15)8-11(12)14/h2-3,8-9H,4-7H2,1H3,(H,16,18)
InChIKeyUXUVMSVSMKIBHR-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-(4-fluoro-2-iodophenyl)-4-methylpiperidine-1-carboxamide
CID 79766315
N-(4-bromo-2-chlorophenyl)-4-methylpiperidine-1-carboxamide
CID 17262885
N-(2,5-difluorophenyl)-4-methylpiperidine-1-carboxamide
CID 113223019
N-(2-cyano-4-fluorophenyl)-4-methylpiperidine-1-carboxamide
CID 78839686
2-[1-[(2-chloro-4-fluorophenyl)carbamoyl]piperidin-3-yl]acetic acid
CID 62691149
N-(4-chloro-2-iodophenyl)-4-methylpiperidine-1-carboxamide
CID 103767711
2-[4-[(2-chloro-4-fluorophenyl)carbamoyl]piperazin-1-yl]acetic acid
CID 61186245
N-(4-chloro-3-fluorophenyl)-4-methylpiperidine-1-carboxamide
CID 113223585
N-(3-chloro-5-fluorophenyl)-4-methylpiperidine-1-carboxamide
CID 103774793
N-(2-chloro-4-fluorophenyl)-2-(4-hydroxypiperidin-1-yl)-2-oxoacetamide
CID 47336644
N-(2,4-difluorophenyl)-4-(methylamino)piperidine-1-carboxamide
CID 60819455
N-[2-(2-chloro-4-fluorophenoxy)ethyl]-4-methylpiperidine-1-carboxamide
CID 112976964

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-fluorophenyl)-4-methylpiperidine-1-carboxamide?
The IUPAC name of N-(2-chloro-4-fluorophenyl)-4-methylpiperidine-1-carboxamide (CID 113223020) is N-(2-chloro-4-fluorophenyl)-4-methylpiperidine-1-carboxamide.
What is the SMILES notation for N-(2-chloro-4-fluorophenyl)-4-methylpiperidine-1-carboxamide?
The canonical SMILES for N-(2-chloro-4-fluorophenyl)-4-methylpiperidine-1-carboxamide is CC1CCN(C(=O)Nc2ccc(F)cc2Cl)CC1.
What is the InChIKey of N-(2-chloro-4-fluorophenyl)-4-methylpiperidine-1-carboxamide?
The InChIKey is UXUVMSVSMKIBHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClFN2O/c1-9-4-6-17(7-5-9)13(18)16-12-3-2-10(15)8-11(12)14/h2-3,8-9H,4-7H2,1H3,(H,16,18).
What are the key properties of N-(2-chloro-4-fluorophenyl)-4-methylpiperidine-1-carboxamide?
N-(2-chloro-4-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-(2-chloro-4-fluorophenyl)-4-methylpiperidine-1-carboxamide is sourced from PubChem (CID 113223020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).