N-(4-chloro-2-fluorophenyl)-1-(2-methylpropanoyl)piperidine-4-carboxamide

C16H20ClFN2O2 — CID 31807428

IUPACN-(4-chloro-2-fluorophenyl)-1-(2-methylpropanoyl)piperidine-4-carboxamide
SMILESCC(C)C(=O)N1CCC(C(=O)Nc2ccc(Cl)cc2F)CC1
InChIInChI=1S/C16H20ClFN2O2/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)
InChIKeyLLSOJIFQBIWXTC-UHFFFAOYSA-N
MW326.80 g/mol
LogP3.31
Rot. Bonds3

About N-(4-chloro-2-fluorophenyl)-1-(2-methylpropanoyl)piperidine-4-carboxamide

N-(4-chloro-2-fluorophenyl)-1-(2-methylpropanoyl)piperidine-4-carboxamide (PubChem CID 31807428) has the molecular formula C16H20ClFN2O2 and a molecular weight of 326.80 g/mol. Its IUPAC name is N-(4-chloro-2-fluorophenyl)-1-(2-methylpropanoyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-2-fluorophenyl)-1-(2-methylpropanoyl)piperidine-4-carboxamide
PubChem CID31807428
Molecular FormulaC16H20ClFN2O2
Molecular Weight326.80 g/mol
Exact Mass326.12
IUPAC NameN-(4-chloro-2-fluorophenyl)-1-(2-methylpropanoyl)piperidine-4-carboxamide
SMILESCC(C)C(=O)N1CCC(C(=O)Nc2ccc(Cl)cc2F)CC1
InChIInChI=1S/C16H20ClFN2O2/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)
InChIKeyLLSOJIFQBIWXTC-UHFFFAOYSA-N
XLogP3.31
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.80
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-fluorophenyl)-1-(2-methylpropanoyl)piperidine-4-carboxamide?
The IUPAC name of N-(4-chloro-2-fluorophenyl)-1-(2-methylpropanoyl)piperidine-4-carboxamide (CID 31807428) is N-(4-chloro-2-fluorophenyl)-1-(2-methylpropanoyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(4-chloro-2-fluorophenyl)-1-(2-methylpropanoyl)piperidine-4-carboxamide?
The canonical SMILES for N-(4-chloro-2-fluorophenyl)-1-(2-methylpropanoyl)piperidine-4-carboxamide is CC(C)C(=O)N1CCC(C(=O)Nc2ccc(Cl)cc2F)CC1.
What is the InChIKey of N-(4-chloro-2-fluorophenyl)-1-(2-methylpropanoyl)piperidine-4-carboxamide?
The InChIKey is LLSOJIFQBIWXTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClFN2O2/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-(4-chloro-2-fluorophenyl)-1-(2-methylpropanoyl)piperidine-4-carboxamide?
N-(4-chloro-2-fluorophenyl)-1-(2-methylpropanoyl)piperidine-4-carboxamide has a molecular weight of 326.80 g/mol, XLogP of 3.31, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-fluorophenyl)-1-(2-methylpropanoyl)piperidine-4-carboxamide is sourced from PubChem (CID 31807428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).