N-[3-chloro-4-(difluoromethoxy)phenyl]-4-methylpiperidine-4-carboxamide

C14H17ClF2N2O2 — CID 63122437

IUPACN-[3-chloro-4-(difluoromethoxy)phenyl]-4-methylpiperidine-4-carboxamide
SMILESCC1(C(=O)Nc2ccc(OC(F)F)c(Cl)c2)CCNCC1
InChIInChI=1S/C14H17ClF2N2O2/c1-14(4-6-18-7-5-14)12(20)19-9-2-3-11(10(15)8-9)21-13(16)17/h2-3,8,13,18H,4-7H2,1H3,(H,19,20)
InChIKeyJHUKIOBHVDXPMB-UHFFFAOYSA-N
MW318.75 g/mol
LogP3.27
Rot. Bonds4

About N-[3-chloro-4-(difluoromethoxy)phenyl]-4-methylpiperidine-4-carboxamide

N-[3-chloro-4-(difluoromethoxy)phenyl]-4-methylpiperidine-4-carboxamide (PubChem CID 63122437) has the molecular formula C14H17ClF2N2O2 and a molecular weight of 318.75 g/mol. Its IUPAC name is N-[3-chloro-4-(difluoromethoxy)phenyl]-4-methylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[3-chloro-4-(difluoromethoxy)phenyl]-4-methylpiperidine-4-carboxamide
PubChem CID63122437
Molecular FormulaC14H17ClF2N2O2
Molecular Weight318.75 g/mol
Exact Mass318.09
IUPAC NameN-[3-chloro-4-(difluoromethoxy)phenyl]-4-methylpiperidine-4-carboxamide
SMILESCC1(C(=O)Nc2ccc(OC(F)F)c(Cl)c2)CCNCC1
InChIInChI=1S/C14H17ClF2N2O2/c1-14(4-6-18-7-5-14)12(20)19-9-2-3-11(10(15)8-9)21-13(16)17/h2-3,8,13,18H,4-7H2,1H3,(H,19,20)
InChIKeyJHUKIOBHVDXPMB-UHFFFAOYSA-N
XLogP3.27
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.75
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[3-chloro-4-(difluoromethoxy)phenyl]-4-methylpiperidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-chloro-4-propan-2-yloxyphenyl)-3-methylpiperidine-3-carboxamide;hydrochloride
CID 119944398
N-[3-chloro-4-(difluoromethoxy)phenyl]-1-phenylcyclopropane-1-carboxamide
CID 8696473
N-(3,4-dichlorophenyl)-3-methylpyrrolidine-3-carboxamide;hydrochloride
CID 119670891
N-(3-chloro-4-methylphenyl)-3-methylpyrrolidine-3-carboxamide
CID 63140585
N-[4-(difluoromethoxy)-3-fluorophenyl]-3-methylpiperidine-3-carboxamide;hydrochloride
CID 119944743
N-(3-chloro-4-methoxyphenyl)-4-ethylpiperidine-4-carboxamide
CID 63127333
N-(3-chloro-4-nitrophenyl)-4-methylpiperidine-4-carboxamide
CID 82864846
N-[3-chloro-4-(difluoromethoxy)phenyl]-2-piperazin-1-ylacetamide
CID 61259459
N-[3-chloro-4-(difluoromethoxy)phenyl]-2,2-difluoroacetamide
CID 113218222
N-[3-chloro-4-(difluoromethoxy)phenyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119676762
2,2-dichloro-N-[3-(difluoromethoxy)-4-methoxyphenyl]-1-methylcyclopropane-1-carboxamide
CID 46552870
N-(4-acetamido-3-chlorophenyl)-3-methylpyrrolidine-3-carboxamide;hydrochloride
CID 119700277

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-(difluoromethoxy)phenyl]-4-methylpiperidine-4-carboxamide?
The IUPAC name of N-[3-chloro-4-(difluoromethoxy)phenyl]-4-methylpiperidine-4-carboxamide (CID 63122437) is N-[3-chloro-4-(difluoromethoxy)phenyl]-4-methylpiperidine-4-carboxamide.
What is the SMILES notation for N-[3-chloro-4-(difluoromethoxy)phenyl]-4-methylpiperidine-4-carboxamide?
The canonical SMILES for N-[3-chloro-4-(difluoromethoxy)phenyl]-4-methylpiperidine-4-carboxamide is CC1(C(=O)Nc2ccc(OC(F)F)c(Cl)c2)CCNCC1.
What is the InChIKey of N-[3-chloro-4-(difluoromethoxy)phenyl]-4-methylpiperidine-4-carboxamide?
The InChIKey is JHUKIOBHVDXPMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClF2N2O2/c1-14(4-6-18-7-5-14)12(20)19-9-2-3-11(10(15)8-9)21-13(16)17/h2-3,8,13,18H,4-7H2,1H3,(H,19,20).
What are the key properties of N-[3-chloro-4-(difluoromethoxy)phenyl]-4-methylpiperidine-4-carboxamide?
N-[3-chloro-4-(difluoromethoxy)phenyl]-4-methylpiperidine-4-carboxamide has a molecular weight of 318.75 g/mol, XLogP of 3.27, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-4-(difluoromethoxy)phenyl]-4-methylpiperidine-4-carboxamide is sourced from PubChem (CID 63122437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).