N-[2-(4-chlorophenyl)ethyl]-2-(2-ethylpiperidin-1-yl)-2-oxoacetamide

C17H23ClN2O2 — CID 108985796

IUPACN-[2-(4-chlorophenyl)ethyl]-2-(2-ethylpiperidin-1-yl)-2-oxoacetamide
SMILESCCC1CCCCN1C(=O)C(=O)NCCc1ccc(Cl)cc1
InChIInChI=1S/C17H23ClN2O2/c1-2-15-5-3-4-12-20(15)17(22)16(21)19-11-10-13-6-8-14(18)9-7-13/h6-9,15H,2-5,10-12H2,1H3,(H,19,21)
InChIKeyHTLSOUONPDNCRQ-UHFFFAOYSA-N
MW322.84 g/mol
LogP2.79
Rot. Bonds4

About N-[2-(4-chlorophenyl)ethyl]-2-(2-ethylpiperidin-1-yl)-2-oxoacetamide

N-[2-(4-chlorophenyl)ethyl]-2-(2-ethylpiperidin-1-yl)-2-oxoacetamide (PubChem CID 108985796) has the molecular formula C17H23ClN2O2 and a molecular weight of 322.84 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)ethyl]-2-(2-ethylpiperidin-1-yl)-2-oxoacetamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)ethyl]-2-(2-ethylpiperidin-1-yl)-2-oxoacetamide
PubChem CID108985796
Molecular FormulaC17H23ClN2O2
Molecular Weight322.84 g/mol
Exact Mass322.14
IUPAC NameN-[2-(4-chlorophenyl)ethyl]-2-(2-ethylpiperidin-1-yl)-2-oxoacetamide
SMILESCCC1CCCCN1C(=O)C(=O)NCCc1ccc(Cl)cc1
InChIInChI=1S/C17H23ClN2O2/c1-2-15-5-3-4-12-20(15)17(22)16(21)19-11-10-13-6-8-14(18)9-7-13/h6-9,15H,2-5,10-12H2,1H3,(H,19,21)
InChIKeyHTLSOUONPDNCRQ-UHFFFAOYSA-N
XLogP2.79
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.84
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(4-chlorophenyl)ethyl]-3-(2-ethylpiperidine-1-carbonyl)benzamide
CID 109055680
N-(2-chloroethyl)-2-(2-ethylpiperidin-1-yl)-2-oxoacetamide
CID 108513905
N-(4-ethylphenyl)-2-(2-ethylpiperidin-1-yl)-2-oxoacetamide
CID 108522277
N-(4-chlorophenyl)-2-ethylpiperidine-1-carboxamide
CID 3111956
2-[2-(2-hydroxyethyl)piperidin-1-yl]-2-oxo-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 108530292
[2-[(4-chlorophenyl)methylamino]pyrimidin-5-yl]-(2-ethylpiperidin-1-yl)methanone
CID 109257700
4-(2-ethylpiperidine-1-carbonyl)-N-(2-phenylethyl)benzamide
CID 109047836
2-[(4-chlorophenyl)methylsulfonyl]-1-(2-ethylpiperidin-1-yl)propan-1-one
CID 86989456
4-chloro-N-(2-ethylpiperidine-1-carbothioyl)benzamide
CID 2909948
2-(2-ethylpiperidin-1-yl)-N-(4-fluorophenyl)-2-oxoacetamide
CID 47336169
1-N,4-N-bis[2-(4-chlorophenyl)ethyl]cyclohexane-1,4-dicarboxamide
CID 26644708
N-[2-(4-chlorophenyl)ethyl]-1-ethylsulfonylpiperidine-4-carboxamide
CID 4072850

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)ethyl]-2-(2-ethylpiperidin-1-yl)-2-oxoacetamide?
The IUPAC name of N-[2-(4-chlorophenyl)ethyl]-2-(2-ethylpiperidin-1-yl)-2-oxoacetamide (CID 108985796) is N-[2-(4-chlorophenyl)ethyl]-2-(2-ethylpiperidin-1-yl)-2-oxoacetamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)ethyl]-2-(2-ethylpiperidin-1-yl)-2-oxoacetamide?
The canonical SMILES for N-[2-(4-chlorophenyl)ethyl]-2-(2-ethylpiperidin-1-yl)-2-oxoacetamide is CCC1CCCCN1C(=O)C(=O)NCCc1ccc(Cl)cc1.
What is the InChIKey of N-[2-(4-chlorophenyl)ethyl]-2-(2-ethylpiperidin-1-yl)-2-oxoacetamide?
The InChIKey is HTLSOUONPDNCRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClN2O2/c1-2-15-5-3-4-12-20(15)17(22)16(21)19-11-10-13-6-8-14(18)9-7-13/h6-9,15H,2-5,10-12H2,1H3,(H,19,21).
What are the key properties of N-[2-(4-chlorophenyl)ethyl]-2-(2-ethylpiperidin-1-yl)-2-oxoacetamide?
N-[2-(4-chlorophenyl)ethyl]-2-(2-ethylpiperidin-1-yl)-2-oxoacetamide has a molecular weight of 322.84 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)ethyl]-2-(2-ethylpiperidin-1-yl)-2-oxoacetamide is sourced from PubChem (CID 108985796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).