N-(5-chloro-2-methylphenyl)-2-oxo-2-piperidin-1-ylacetamide

C14H17ClN2O2 — CID 2194096

IUPACN-(5-chloro-2-methylphenyl)-2-oxo-2-piperidin-1-ylacetamide
SMILESCc1ccc(Cl)cc1NC(=O)C(=O)N1CCCCC1
InChIInChI=1S/C14H17ClN2O2/c1-10-5-6-11(15)9-12(10)16-13(18)14(19)17-7-3-2-4-8-17/h5-6,9H,2-4,7-8H2,1H3,(H,16,18)
InChIKeyRXCYCZYUFXTZMP-UHFFFAOYSA-N
MW280.75 g/mol
LogP2.60
Rot. Bonds1

About N-(5-chloro-2-methylphenyl)-2-oxo-2-piperidin-1-ylacetamide

N-(5-chloro-2-methylphenyl)-2-oxo-2-piperidin-1-ylacetamide (PubChem CID 2194096) has the molecular formula C14H17ClN2O2 and a molecular weight of 280.75 g/mol. Its IUPAC name is N-(5-chloro-2-methylphenyl)-2-oxo-2-piperidin-1-ylacetamide.

Molecular Properties

Compound NameN-(5-chloro-2-methylphenyl)-2-oxo-2-piperidin-1-ylacetamide
PubChem CID2194096
Molecular FormulaC14H17ClN2O2
Molecular Weight280.75 g/mol
Exact Mass280.10
IUPAC NameN-(5-chloro-2-methylphenyl)-2-oxo-2-piperidin-1-ylacetamide
SMILESCc1ccc(Cl)cc1NC(=O)C(=O)N1CCCCC1
InChIInChI=1S/C14H17ClN2O2/c1-10-5-6-11(15)9-12(10)16-13(18)14(19)17-7-3-2-4-8-17/h5-6,9H,2-4,7-8H2,1H3,(H,16,18)
InChIKeyRXCYCZYUFXTZMP-UHFFFAOYSA-N
XLogP2.60
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.75
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methylphenyl)-2-oxo-2-piperidin-1-ylacetamide?
The IUPAC name of N-(5-chloro-2-methylphenyl)-2-oxo-2-piperidin-1-ylacetamide (CID 2194096) is N-(5-chloro-2-methylphenyl)-2-oxo-2-piperidin-1-ylacetamide.
What is the SMILES notation for N-(5-chloro-2-methylphenyl)-2-oxo-2-piperidin-1-ylacetamide?
The canonical SMILES for N-(5-chloro-2-methylphenyl)-2-oxo-2-piperidin-1-ylacetamide is Cc1ccc(Cl)cc1NC(=O)C(=O)N1CCCCC1.
What is the InChIKey of N-(5-chloro-2-methylphenyl)-2-oxo-2-piperidin-1-ylacetamide?
The InChIKey is RXCYCZYUFXTZMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O2/c1-10-5-6-11(15)9-12(10)16-13(18)14(19)17-7-3-2-4-8-17/h5-6,9H,2-4,7-8H2,1H3,(H,16,18).
What are the key properties of N-(5-chloro-2-methylphenyl)-2-oxo-2-piperidin-1-ylacetamide?
N-(5-chloro-2-methylphenyl)-2-oxo-2-piperidin-1-ylacetamide has a molecular weight of 280.75 g/mol, XLogP of 2.60, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methylphenyl)-2-oxo-2-piperidin-1-ylacetamide is sourced from PubChem (CID 2194096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).