N-(2,4-difluorophenyl)-1-(2-methylpropanoyl)piperidine-4-carboxamide

C16H20F2N2O2 — CID 31783205

IUPACN-(2,4-difluorophenyl)-1-(2-methylpropanoyl)piperidine-4-carboxamide
SMILESCC(C)C(=O)N1CCC(C(=O)Nc2ccc(F)cc2F)CC1
InChIInChI=1S/C16H20F2N2O2/c1-10(2)16(22)20-7-5-11(6-8-20)15(21)19-14-4-3-12(17)9-13(14)18/h3-4,9-11H,5-8H2,1-2H3,(H,19,21)
InChIKeyRVQJDOUVKJINPF-UHFFFAOYSA-N
MW310.34 g/mol
LogP2.80
Rot. Bonds3

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

N-(2,4-difluorophenyl)-1-(2-methylpropanoyl)piperidine-4-carboxamide (PubChem CID 31783205) has the molecular formula C16H20F2N2O2 and a molecular weight of 310.34 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-1-(2-methylpropanoyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-1-(2-methylpropanoyl)piperidine-4-carboxamide
PubChem CID31783205
Molecular FormulaC16H20F2N2O2
Molecular Weight310.34 g/mol
Exact Mass310.15
IUPAC NameN-(2,4-difluorophenyl)-1-(2-methylpropanoyl)piperidine-4-carboxamide
SMILESCC(C)C(=O)N1CCC(C(=O)Nc2ccc(F)cc2F)CC1
InChIInChI=1S/C16H20F2N2O2/c1-10(2)16(22)20-7-5-11(6-8-20)15(21)19-14-4-3-12(17)9-13(14)18/h3-4,9-11H,5-8H2,1-2H3,(H,19,21)
InChIKeyRVQJDOUVKJINPF-UHFFFAOYSA-N
XLogP2.80
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.34
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-N,4-N-bis(2,4-difluorophenyl)cyclohexane-1,4-dicarboxamide
CID 26722049
tert-butyl 4-[(2,4-difluorophenyl)carbamoyl]piperidine-1-carboxylate
CID 9209463
N-(2,4-difluorophenyl)-1-[2-(4-methylphenyl)acetyl]piperidine-4-carboxamide
CID 113008428
N-(3,4-difluorophenyl)-1-(2-methylpropanoyl)piperidine-4-carboxamide
CID 31786532
N-(2-chloro-4-methylphenyl)-1-(2-methylpropanoyl)piperidine-4-carboxamide
CID 31775816
N-(2,4-difluorophenyl)-4-(methylamino)cyclohexane-1-carboxamide
CID 115150615
N-(3-chloro-4-fluorophenyl)-1-(2-methylpropanoyl)piperidine-4-carboxamide
CID 31789168
1-[(2,4-difluorophenyl)carbamoyl]piperidine-4-carboxylic acid
CID 16770140
N-(2,4-difluorophenyl)-1-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 47080331
1-(4-tert-butylphenyl)sulfonyl-N-(2,4-difluorophenyl)piperidine-4-carboxamide
CID 26681397
4-(1-aminoethyl)-N-(2,4-difluorophenyl)piperidine-1-carboxamide
CID 63595164
N-(4-acetamidophenyl)-1-(2-methylpropanoyl)piperidine-4-carboxamide
CID 31669191

Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-1-(2-methylpropanoyl)piperidine-4-carboxamide?
The IUPAC name of N-(2,4-difluorophenyl)-1-(2-methylpropanoyl)piperidine-4-carboxamide (CID 31783205) is N-(2,4-difluorophenyl)-1-(2-methylpropanoyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-1-(2-methylpropanoyl)piperidine-4-carboxamide?
The canonical SMILES for N-(2,4-difluorophenyl)-1-(2-methylpropanoyl)piperidine-4-carboxamide is CC(C)C(=O)N1CCC(C(=O)Nc2ccc(F)cc2F)CC1.
What is the InChIKey of N-(2,4-difluorophenyl)-1-(2-methylpropanoyl)piperidine-4-carboxamide?
The InChIKey is RVQJDOUVKJINPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F2N2O2/c1-10(2)16(22)20-7-5-11(6-8-20)15(21)19-14-4-3-12(17)9-13(14)18/h3-4,9-11H,5-8H2,1-2H3,(H,19,21).
What are the key properties of N-(2,4-difluorophenyl)-1-(2-methylpropanoyl)piperidine-4-carboxamide?
N-(2,4-difluorophenyl)-1-(2-methylpropanoyl)piperidine-4-carboxamide has a molecular weight of 310.34 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-1-(2-methylpropanoyl)piperidine-4-carboxamide is sourced from PubChem (CID 31783205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).