4-cyclopropylidene-N-(2,6-difluorophenyl)piperidine-1-carboxamide

C15H16F2N2O — CID 121187174

IUPAC4-cyclopropylidene-N-(2,6-difluorophenyl)piperidine-1-carboxamide
SMILESO=C(Nc1c(F)cccc1F)N1CCC(=C2CC2)CC1
InChIInChI=1S/C15H16F2N2O/c16-12-2-1-3-13(17)14(12)18-15(20)19-8-6-11(7-9-19)10-4-5-10/h1-3H,4-9H2,(H,18,20)
InChIKeyLUMWCASLHSQNIB-UHFFFAOYSA-N
MW278.30 g/mol
LogP3.68
Rot. Bonds1

About 4-cyclopropylidene-N-(2,6-difluorophenyl)piperidine-1-carboxamide

4-cyclopropylidene-N-(2,6-difluorophenyl)piperidine-1-carboxamide (PubChem CID 121187174) has the molecular formula C15H16F2N2O and a molecular weight of 278.30 g/mol. Its IUPAC name is 4-cyclopropylidene-N-(2,6-difluorophenyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-cyclopropylidene-N-(2,6-difluorophenyl)piperidine-1-carboxamide
PubChem CID121187174
Molecular FormulaC15H16F2N2O
Molecular Weight278.30 g/mol
Exact Mass278.12
IUPAC Name4-cyclopropylidene-N-(2,6-difluorophenyl)piperidine-1-carboxamide
SMILESO=C(Nc1c(F)cccc1F)N1CCC(=C2CC2)CC1
InChIInChI=1S/C15H16F2N2O/c16-12-2-1-3-13(17)14(12)18-15(20)19-8-6-11(7-9-19)10-4-5-10/h1-3H,4-9H2,(H,18,20)
InChIKeyLUMWCASLHSQNIB-UHFFFAOYSA-N
XLogP3.68
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.30
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-(2,6-difluorophenyl)piperazine-1-carboxamide
CID 91552167
N-(2-amino-6-fluorophenyl)pyrrolidine-1-carboxamide
CID 81310935
N-(2-fluoro-6-methylphenyl)azetidine-1-carboxamide
CID 134177696
2-(azocane-1-carbonylamino)-3-fluorobenzoic acid
CID 81498589
4-(4-acetylphenyl)-N-(2,6-difluorophenyl)piperazine-1-carboxamide
CID 113114215
N-(2,6-difluorophenyl)-4-(1,1-dioxothiolan-3-yl)piperazine-1-carboxamide
CID 113109678
N-(2-chloro-6-fluorophenyl)-4-methylpiperazine-1-carboxamide
CID 108896475
N-(2,6-difluorophenyl)-4-[(4-methylphenyl)methyl]piperazine-1-carboxamide
CID 113107101
4-cyclopropylidene-N-(3-methylphenyl)piperidine-1-carboxamide
CID 121187164
N-(2-chloro-6-fluorophenyl)-4-phenylpiperazine-1-carboxamide
CID 108896638
3-fluoro-2-[(4-hydroxy-4-methylpiperidine-1-carbonyl)amino]benzoic acid
CID 81498008
1-[(2,6-difluorophenyl)carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122101826

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropylidene-N-(2,6-difluorophenyl)piperidine-1-carboxamide?
The IUPAC name of 4-cyclopropylidene-N-(2,6-difluorophenyl)piperidine-1-carboxamide (CID 121187174) is 4-cyclopropylidene-N-(2,6-difluorophenyl)piperidine-1-carboxamide.
What is the SMILES notation for 4-cyclopropylidene-N-(2,6-difluorophenyl)piperidine-1-carboxamide?
The canonical SMILES for 4-cyclopropylidene-N-(2,6-difluorophenyl)piperidine-1-carboxamide is O=C(Nc1c(F)cccc1F)N1CCC(=C2CC2)CC1.
What is the InChIKey of 4-cyclopropylidene-N-(2,6-difluorophenyl)piperidine-1-carboxamide?
The InChIKey is LUMWCASLHSQNIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F2N2O/c16-12-2-1-3-13(17)14(12)18-15(20)19-8-6-11(7-9-19)10-4-5-10/h1-3H,4-9H2,(H,18,20).
What are the key properties of 4-cyclopropylidene-N-(2,6-difluorophenyl)piperidine-1-carboxamide?
4-cyclopropylidene-N-(2,6-difluorophenyl)piperidine-1-carboxamide has a molecular weight of 278.30 g/mol, XLogP of 3.68, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropylidene-N-(2,6-difluorophenyl)piperidine-1-carboxamide is sourced from PubChem (CID 121187174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).