N-[(2,4-dichlorophenyl)methyl]-2-oxo-2-piperidin-1-ylacetamide

C14H16Cl2N2O2 — CID 2194492

IUPACN-[(2,4-dichlorophenyl)methyl]-2-oxo-2-piperidin-1-ylacetamide
SMILESO=C(NCc1ccc(Cl)cc1Cl)C(=O)N1CCCCC1
InChIInChI=1S/C14H16Cl2N2O2/c15-11-5-4-10(12(16)8-11)9-17-13(19)14(20)18-6-2-1-3-7-18/h4-5,8H,1-3,6-7,9H2,(H,17,19)
InChIKeyDXOWTCFIFZCTLK-UHFFFAOYSA-N
MW315.20 g/mol
LogP2.62
Rot. Bonds2

About N-[(2,4-dichlorophenyl)methyl]-2-oxo-2-piperidin-1-ylacetamide

N-[(2,4-dichlorophenyl)methyl]-2-oxo-2-piperidin-1-ylacetamide (PubChem CID 2194492) has the molecular formula C14H16Cl2N2O2 and a molecular weight of 315.20 g/mol. Its IUPAC name is N-[(2,4-dichlorophenyl)methyl]-2-oxo-2-piperidin-1-ylacetamide.

Molecular Properties

Compound NameN-[(2,4-dichlorophenyl)methyl]-2-oxo-2-piperidin-1-ylacetamide
PubChem CID2194492
Molecular FormulaC14H16Cl2N2O2
Molecular Weight315.20 g/mol
Exact Mass314.06
IUPAC NameN-[(2,4-dichlorophenyl)methyl]-2-oxo-2-piperidin-1-ylacetamide
SMILESO=C(NCc1ccc(Cl)cc1Cl)C(=O)N1CCCCC1
InChIInChI=1S/C14H16Cl2N2O2/c15-11-5-4-10(12(16)8-11)9-17-13(19)14(20)18-6-2-1-3-7-18/h4-5,8H,1-3,6-7,9H2,(H,17,19)
InChIKeyDXOWTCFIFZCTLK-UHFFFAOYSA-N
XLogP2.62
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.20
LogP ≤ 52.62
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-[(2,4-dichlorophenyl)methyl]-2-oxo-2-piperidin-1-ylacetamide?
The IUPAC name of N-[(2,4-dichlorophenyl)methyl]-2-oxo-2-piperidin-1-ylacetamide (CID 2194492) is N-[(2,4-dichlorophenyl)methyl]-2-oxo-2-piperidin-1-ylacetamide.
What is the SMILES notation for N-[(2,4-dichlorophenyl)methyl]-2-oxo-2-piperidin-1-ylacetamide?
The canonical SMILES for N-[(2,4-dichlorophenyl)methyl]-2-oxo-2-piperidin-1-ylacetamide is O=C(NCc1ccc(Cl)cc1Cl)C(=O)N1CCCCC1.
What is the InChIKey of N-[(2,4-dichlorophenyl)methyl]-2-oxo-2-piperidin-1-ylacetamide?
The InChIKey is DXOWTCFIFZCTLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16Cl2N2O2/c15-11-5-4-10(12(16)8-11)9-17-13(19)14(20)18-6-2-1-3-7-18/h4-5,8H,1-3,6-7,9H2,(H,17,19).
What are the key properties of N-[(2,4-dichlorophenyl)methyl]-2-oxo-2-piperidin-1-ylacetamide?
N-[(2,4-dichlorophenyl)methyl]-2-oxo-2-piperidin-1-ylacetamide has a molecular weight of 315.20 g/mol, XLogP of 2.62, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dichlorophenyl)methyl]-2-oxo-2-piperidin-1-ylacetamide is sourced from PubChem (CID 2194492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).