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

C14H16ClFN2O2 — CID 6469962

IUPAC1-acetyl-N-(4-chloro-2-fluorophenyl)piperidine-4-carboxamide
SMILESCC(=O)N1CCC(C(=O)Nc2ccc(Cl)cc2F)CC1
InChIInChI=1S/C14H16ClFN2O2/c1-9(19)18-6-4-10(5-7-18)14(20)17-13-3-2-11(15)8-12(13)16/h2-3,8,10H,4-7H2,1H3,(H,17,20)
InChIKeyXOQRCNVGOOQZCU-UHFFFAOYSA-N
MW298.74 g/mol
LogP2.68
Rot. Bonds2

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

1-acetyl-N-(4-chloro-2-fluorophenyl)piperidine-4-carboxamide (PubChem CID 6469962) has the molecular formula C14H16ClFN2O2 and a molecular weight of 298.74 g/mol. Its IUPAC name is 1-acetyl-N-(4-chloro-2-fluorophenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-acetyl-N-(4-chloro-2-fluorophenyl)piperidine-4-carboxamide
PubChem CID6469962
Molecular FormulaC14H16ClFN2O2
Molecular Weight298.74 g/mol
Exact Mass298.09
IUPAC Name1-acetyl-N-(4-chloro-2-fluorophenyl)piperidine-4-carboxamide
SMILESCC(=O)N1CCC(C(=O)Nc2ccc(Cl)cc2F)CC1
InChIInChI=1S/C14H16ClFN2O2/c1-9(19)18-6-4-10(5-7-18)14(20)17-13-3-2-11(15)8-12(13)16/h2-3,8,10H,4-7H2,1H3,(H,17,20)
InChIKeyXOQRCNVGOOQZCU-UHFFFAOYSA-N
XLogP2.68
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.74
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-(4-chloro-2-fluorophenyl)piperidine-4-carboxamide?
The IUPAC name of 1-acetyl-N-(4-chloro-2-fluorophenyl)piperidine-4-carboxamide (CID 6469962) is 1-acetyl-N-(4-chloro-2-fluorophenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-acetyl-N-(4-chloro-2-fluorophenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-acetyl-N-(4-chloro-2-fluorophenyl)piperidine-4-carboxamide is CC(=O)N1CCC(C(=O)Nc2ccc(Cl)cc2F)CC1.
What is the InChIKey of 1-acetyl-N-(4-chloro-2-fluorophenyl)piperidine-4-carboxamide?
The InChIKey is XOQRCNVGOOQZCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClFN2O2/c1-9(19)18-6-4-10(5-7-18)14(20)17-13-3-2-11(15)8-12(13)16/h2-3,8,10H,4-7H2,1H3,(H,17,20).
What are the key properties of 1-acetyl-N-(4-chloro-2-fluorophenyl)piperidine-4-carboxamide?
1-acetyl-N-(4-chloro-2-fluorophenyl)piperidine-4-carboxamide has a molecular weight of 298.74 g/mol, XLogP of 2.68, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-(4-chloro-2-fluorophenyl)piperidine-4-carboxamide is sourced from PubChem (CID 6469962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).