N-[4-chloro-3-(difluoromethoxy)phenyl]-4-cyanopiperidine-1-carboxamide

C14H14ClF2N3O2 — CID 84599160

IUPACN-[4-chloro-3-(difluoromethoxy)phenyl]-4-cyanopiperidine-1-carboxamide
SMILESN#CC1CCN(C(=O)Nc2ccc(Cl)c(OC(F)F)c2)CC1
InChIInChI=1S/C14H14ClF2N3O2/c15-11-2-1-10(7-12(11)22-13(16)17)19-14(21)20-5-3-9(8-18)4-6-20/h1-2,7,9,13H,3-6H2,(H,19,21)
InChIKeyWZGQLCPHYMDTJT-UHFFFAOYSA-N
MW329.73 g/mol
LogP3.71
Rot. Bonds3

About N-[4-chloro-3-(difluoromethoxy)phenyl]-4-cyanopiperidine-1-carboxamide

N-[4-chloro-3-(difluoromethoxy)phenyl]-4-cyanopiperidine-1-carboxamide (PubChem CID 84599160) has the molecular formula C14H14ClF2N3O2 and a molecular weight of 329.73 g/mol. Its IUPAC name is N-[4-chloro-3-(difluoromethoxy)phenyl]-4-cyanopiperidine-1-carboxamide.

Molecular Properties

Compound NameN-[4-chloro-3-(difluoromethoxy)phenyl]-4-cyanopiperidine-1-carboxamide
PubChem CID84599160
Molecular FormulaC14H14ClF2N3O2
Molecular Weight329.73 g/mol
Exact Mass329.07
IUPAC NameN-[4-chloro-3-(difluoromethoxy)phenyl]-4-cyanopiperidine-1-carboxamide
SMILESN#CC1CCN(C(=O)Nc2ccc(Cl)c(OC(F)F)c2)CC1
InChIInChI=1S/C14H14ClF2N3O2/c15-11-2-1-10(7-12(11)22-13(16)17)19-14(21)20-5-3-9(8-18)4-6-20/h1-2,7,9,13H,3-6H2,(H,19,21)
InChIKeyWZGQLCPHYMDTJT-UHFFFAOYSA-N
XLogP3.71
TPSA65.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.73
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-chloro-3-(difluoromethoxy)phenyl]-3-hydroxy-4-methylpiperidine-1-carboxamide
CID 110021826
N-[4-chloro-3-(difluoromethoxy)phenyl]-3-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 75451518
N-(4-chlorophenyl)-4-cyanopiperidine-1-carboxamide
CID 60969957
N-(4-carbamoyl-3-chlorophenyl)-4-cyanopiperidine-1-carboxamide
CID 118774921
N-[3-chloro-4-(difluoromethoxy)phenyl]-4-(4-methoxybenzoyl)piperidine-1-carboxamide
CID 112824546
2-[[4-chloro-3-(difluoromethoxy)phenyl]carbamoyl]cyclobutane-1-carboxylic acid
CID 120977324
N-(4-chloro-3-methoxyphenyl)-4-propan-2-ylpiperazine-1-carboxamide
CID 122148707
N-[4-chloro-3-(difluoromethoxy)phenyl]-2-(dimethylamino)acetamide
CID 86805225
4-cyano-N-[(1R)-1-[4-(difluoromethoxy)phenyl]ethyl]piperidine-1-carboxamide
CID 94871502
N-[3-chloro-4-(difluoromethoxy)phenyl]-4-piperidin-3-ylpiperidine-1-carboxamide;2,2,2-trifluoroacetic acid
CID 167977724
4-cyano-N-[(1S)-1-(3,4-dichlorophenyl)ethyl]piperidine-1-carboxamide
CID 95284112
4-cyano-N-(3-nitrophenyl)piperidine-1-carboxamide
CID 60971014

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-(difluoromethoxy)phenyl]-4-cyanopiperidine-1-carboxamide?
The IUPAC name of N-[4-chloro-3-(difluoromethoxy)phenyl]-4-cyanopiperidine-1-carboxamide (CID 84599160) is N-[4-chloro-3-(difluoromethoxy)phenyl]-4-cyanopiperidine-1-carboxamide.
What is the SMILES notation for N-[4-chloro-3-(difluoromethoxy)phenyl]-4-cyanopiperidine-1-carboxamide?
The canonical SMILES for N-[4-chloro-3-(difluoromethoxy)phenyl]-4-cyanopiperidine-1-carboxamide is N#CC1CCN(C(=O)Nc2ccc(Cl)c(OC(F)F)c2)CC1.
What is the InChIKey of N-[4-chloro-3-(difluoromethoxy)phenyl]-4-cyanopiperidine-1-carboxamide?
The InChIKey is WZGQLCPHYMDTJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClF2N3O2/c15-11-2-1-10(7-12(11)22-13(16)17)19-14(21)20-5-3-9(8-18)4-6-20/h1-2,7,9,13H,3-6H2,(H,19,21).
What are the key properties of N-[4-chloro-3-(difluoromethoxy)phenyl]-4-cyanopiperidine-1-carboxamide?
N-[4-chloro-3-(difluoromethoxy)phenyl]-4-cyanopiperidine-1-carboxamide has a molecular weight of 329.73 g/mol, XLogP of 3.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-(difluoromethoxy)phenyl]-4-cyanopiperidine-1-carboxamide is sourced from PubChem (CID 84599160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).