1-cyclopropyl-N-(2,5-difluoro-4-methoxyphenyl)piperidine-4-carboxamide

C16H20F2N2O2 — CID 126772611

IUPAC1-cyclopropyl-N-(2,5-difluoro-4-methoxyphenyl)piperidine-4-carboxamide
SMILESCOc1cc(F)c(NC(=O)C2CCN(C3CC3)CC2)cc1F
InChIInChI=1S/C16H20F2N2O2/c1-22-15-9-12(17)14(8-13(15)18)19-16(21)10-4-6-20(7-5-10)11-2-3-11/h8-11H,2-7H2,1H3,(H,19,21)
InChIKeyZKEZRCDMVGACGV-UHFFFAOYSA-N
MW310.34 g/mol
LogP2.79
Rot. Bonds4

About 1-cyclopropyl-N-(2,5-difluoro-4-methoxyphenyl)piperidine-4-carboxamide

1-cyclopropyl-N-(2,5-difluoro-4-methoxyphenyl)piperidine-4-carboxamide (PubChem CID 126772611) has the molecular formula C16H20F2N2O2 and a molecular weight of 310.34 g/mol. Its IUPAC name is 1-cyclopropyl-N-(2,5-difluoro-4-methoxyphenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-cyclopropyl-N-(2,5-difluoro-4-methoxyphenyl)piperidine-4-carboxamide
PubChem CID126772611
Molecular FormulaC16H20F2N2O2
Molecular Weight310.34 g/mol
Exact Mass310.15
IUPAC Name1-cyclopropyl-N-(2,5-difluoro-4-methoxyphenyl)piperidine-4-carboxamide
SMILESCOc1cc(F)c(NC(=O)C2CCN(C3CC3)CC2)cc1F
InChIInChI=1S/C16H20F2N2O2/c1-22-15-9-12(17)14(8-13(15)18)19-16(21)10-4-6-20(7-5-10)11-2-3-11/h8-11H,2-7H2,1H3,(H,19,21)
InChIKeyZKEZRCDMVGACGV-UHFFFAOYSA-N
XLogP2.79
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.34
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,5-difluoro-4-methoxyphenyl)azetidine-3-carboxamide
CID 115158683
1-[(2,5-difluoro-4-methoxyphenyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 122086649
2-[(2,5-difluoro-4-methoxyphenyl)carbamoyl]cyclobutane-1-carboxylic acid
CID 120977022
N-(2-fluoro-4,5-dimethoxyphenyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119778132
(2S,4S)-N-(2-fluoro-4,5-dimethoxyphenyl)-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120631536
N-(2-methoxy-4,5-dimethylphenyl)cyclopropanecarboxamide
CID 110776819
1-(2-fluorophenyl)-N-(2-methoxyphenyl)piperidine-4-carboxamide
CID 17152653
N-(5-chloro-2-methoxyphenyl)-1-methylpiperidine-4-carboxamide
CID 95968068
N-(5-fluoro-2,4-dimethoxyphenyl)piperidine-3-carboxamide
CID 119336082
1-acetyl-N-(4-chloro-2,5-dimethoxyphenyl)piperidine-4-carboxamide
CID 6466145
N-(5-fluoro-2-methoxyphenyl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide
CID 110776584
N-(2,5-dimethoxyphenyl)-1-methylpiperidine-4-carboxamide
CID 95968075

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-(2,5-difluoro-4-methoxyphenyl)piperidine-4-carboxamide?
The IUPAC name of 1-cyclopropyl-N-(2,5-difluoro-4-methoxyphenyl)piperidine-4-carboxamide (CID 126772611) is 1-cyclopropyl-N-(2,5-difluoro-4-methoxyphenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-cyclopropyl-N-(2,5-difluoro-4-methoxyphenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-cyclopropyl-N-(2,5-difluoro-4-methoxyphenyl)piperidine-4-carboxamide is COc1cc(F)c(NC(=O)C2CCN(C3CC3)CC2)cc1F.
What is the InChIKey of 1-cyclopropyl-N-(2,5-difluoro-4-methoxyphenyl)piperidine-4-carboxamide?
The InChIKey is ZKEZRCDMVGACGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F2N2O2/c1-22-15-9-12(17)14(8-13(15)18)19-16(21)10-4-6-20(7-5-10)11-2-3-11/h8-11H,2-7H2,1H3,(H,19,21).
What are the key properties of 1-cyclopropyl-N-(2,5-difluoro-4-methoxyphenyl)piperidine-4-carboxamide?
1-cyclopropyl-N-(2,5-difluoro-4-methoxyphenyl)piperidine-4-carboxamide has a molecular weight of 310.34 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-(2,5-difluoro-4-methoxyphenyl)piperidine-4-carboxamide is sourced from PubChem (CID 126772611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).