4-[3-(difluoromethoxy)anilino]piperidine-1-carboxamide

C13H17F2N3O2 — CID 43783712

IUPAC4-[3-(difluoromethoxy)anilino]piperidine-1-carboxamide
SMILESNC(=O)N1CCC(Nc2cccc(OC(F)F)c2)CC1
InChIInChI=1S/C13H17F2N3O2/c14-12(15)20-11-3-1-2-10(8-11)17-9-4-6-18(7-5-9)13(16)19/h1-3,8-9,12,17H,4-7H2,(H2,16,19)
InChIKeyHGFPWGYIYRSHES-UHFFFAOYSA-N
MW285.29 g/mol
LogP2.24
Rot. Bonds4

About 4-[3-(difluoromethoxy)anilino]piperidine-1-carboxamide

4-[3-(difluoromethoxy)anilino]piperidine-1-carboxamide (PubChem CID 43783712) has the molecular formula C13H17F2N3O2 and a molecular weight of 285.29 g/mol. Its IUPAC name is 4-[3-(difluoromethoxy)anilino]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-[3-(difluoromethoxy)anilino]piperidine-1-carboxamide
PubChem CID43783712
Molecular FormulaC13H17F2N3O2
Molecular Weight285.29 g/mol
Exact Mass285.13
IUPAC Name4-[3-(difluoromethoxy)anilino]piperidine-1-carboxamide
SMILESNC(=O)N1CCC(Nc2cccc(OC(F)F)c2)CC1
InChIInChI=1S/C13H17F2N3O2/c14-12(15)20-11-3-1-2-10(8-11)17-9-4-6-18(7-5-9)13(16)19/h1-3,8-9,12,17H,4-7H2,(H2,16,19)
InChIKeyHGFPWGYIYRSHES-UHFFFAOYSA-N
XLogP2.24
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.29
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl 4-[3-(difluoromethoxy)anilino]piperidine-1-carboxylate
CID 114280142
methyl N-[3-[(1-carbamoylpiperidin-4-yl)amino]phenyl]carbamate
CID 60942471
4-(3-methylsulfanylanilino)piperidine-1-carboxamide
CID 43757325
4-[3-(dimethylamino)anilino]piperidine-1-carboxamide
CID 115376468
3-(difluoromethoxy)-N-[4-(trifluoromethyl)cyclohexyl]aniline
CID 64754052
4-[3-[(dimethylamino)methyl]anilino]piperidine-1-carboxamide
CID 43782212
4-(3,5-difluoroanilino)piperidine-1-carboxamide
CID 43765044
3-(difluoromethoxy)-N-(4-propylcyclohexyl)aniline
CID 43698673
N-[3-(difluoromethoxy)phenyl]-3-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 111443095
N-[3-(difluoromethoxy)phenyl]-1,2,3,4-tetrahydronaphthalen-2-amine
CID 43783705
1-[4-[3-(2-methoxyethoxy)anilino]piperidin-1-yl]ethanone
CID 60936422
1-[4-(3-methoxyanilino)piperidin-1-yl]-2,2-diphenylethanone
CID 3570393

Frequently Asked Questions

What is the IUPAC name of 4-[3-(difluoromethoxy)anilino]piperidine-1-carboxamide?
The IUPAC name of 4-[3-(difluoromethoxy)anilino]piperidine-1-carboxamide (CID 43783712) is 4-[3-(difluoromethoxy)anilino]piperidine-1-carboxamide.
What is the SMILES notation for 4-[3-(difluoromethoxy)anilino]piperidine-1-carboxamide?
The canonical SMILES for 4-[3-(difluoromethoxy)anilino]piperidine-1-carboxamide is NC(=O)N1CCC(Nc2cccc(OC(F)F)c2)CC1.
What is the InChIKey of 4-[3-(difluoromethoxy)anilino]piperidine-1-carboxamide?
The InChIKey is HGFPWGYIYRSHES-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2N3O2/c14-12(15)20-11-3-1-2-10(8-11)17-9-4-6-18(7-5-9)13(16)19/h1-3,8-9,12,17H,4-7H2,(H2,16,19).
What are the key properties of 4-[3-(difluoromethoxy)anilino]piperidine-1-carboxamide?
4-[3-(difluoromethoxy)anilino]piperidine-1-carboxamide has a molecular weight of 285.29 g/mol, XLogP of 2.24, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(difluoromethoxy)anilino]piperidine-1-carboxamide is sourced from PubChem (CID 43783712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).