N-(5-chloro-2-methylphenyl)-2-[2-(2-hydroxyethyl)piperidin-1-yl]-2-oxoacetamide

C16H21ClN2O3 — CID 108511874

IUPACN-(5-chloro-2-methylphenyl)-2-[2-(2-hydroxyethyl)piperidin-1-yl]-2-oxoacetamide
SMILESCc1ccc(Cl)cc1NC(=O)C(=O)N1CCCCC1CCO
InChIInChI=1S/C16H21ClN2O3/c1-11-5-6-12(17)10-14(11)18-15(21)16(22)19-8-3-2-4-13(19)7-9-20/h5-6,10,13,20H,2-4,7-9H2,1H3,(H,18,21)
InChIKeyNKDWPKRORHDEER-UHFFFAOYSA-N
MW324.81 g/mol
LogP2.35
Rot. Bonds3

About N-(5-chloro-2-methylphenyl)-2-[2-(2-hydroxyethyl)piperidin-1-yl]-2-oxoacetamide

N-(5-chloro-2-methylphenyl)-2-[2-(2-hydroxyethyl)piperidin-1-yl]-2-oxoacetamide (PubChem CID 108511874) has the molecular formula C16H21ClN2O3 and a molecular weight of 324.81 g/mol. Its IUPAC name is N-(5-chloro-2-methylphenyl)-2-[2-(2-hydroxyethyl)piperidin-1-yl]-2-oxoacetamide.

Molecular Properties

Compound NameN-(5-chloro-2-methylphenyl)-2-[2-(2-hydroxyethyl)piperidin-1-yl]-2-oxoacetamide
PubChem CID108511874
Molecular FormulaC16H21ClN2O3
Molecular Weight324.81 g/mol
Exact Mass324.12
IUPAC NameN-(5-chloro-2-methylphenyl)-2-[2-(2-hydroxyethyl)piperidin-1-yl]-2-oxoacetamide
SMILESCc1ccc(Cl)cc1NC(=O)C(=O)N1CCCCC1CCO
InChIInChI=1S/C16H21ClN2O3/c1-11-5-6-12(17)10-14(11)18-15(21)16(22)19-8-3-2-4-13(19)7-9-20/h5-6,10,13,20H,2-4,7-9H2,1H3,(H,18,21)
InChIKeyNKDWPKRORHDEER-UHFFFAOYSA-N
XLogP2.35
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.81
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2,5-dimethylphenyl)-2-[2-(2-hydroxyethyl)piperidin-1-yl]-2-oxoacetamide
CID 108531033
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[2-(2-hydroxyethyl)piperidin-1-yl]-2-oxoacetamide
CID 108532221
N-(2-fluorophenyl)-2-[2-(2-hydroxyethyl)piperidin-1-yl]-2-oxoacetamide
CID 108520894
2-[2-(2-hydroxyethyl)piperidin-1-yl]-N-(3-methylphenyl)-2-oxoacetamide
CID 108515753
[5-chloro-2-(ethylamino)phenyl]-[2-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 62166978
N-(5-chloro-2-methylphenyl)-2-oxo-2-(2-phenylpyrrolidin-1-yl)acetamide
CID 60551965
N-(5-bromo-2-methylphenyl)-2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoacetamide
CID 124568699
N-(2-ethyl-6-methylphenyl)-2-[2-(2-hydroxyethyl)piperidin-1-yl]-2-oxoacetamide
CID 108512179
N-(2,6-difluorophenyl)-2-[2-(2-hydroxyethyl)piperidin-1-yl]-2-oxoacetamide
CID 108522156
2-(2-ethylpiperidin-1-yl)-N-(2-methylphenyl)-2-oxoacetamide
CID 47336165
N-(5-chloro-2-methylphenyl)-2-[3-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoacetamide
CID 111798621
(2R)-N-(4-chlorophenyl)-2-(2-hydroxyethyl)piperidine-1-carboxamide
CID 40622393

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methylphenyl)-2-[2-(2-hydroxyethyl)piperidin-1-yl]-2-oxoacetamide?
The IUPAC name of N-(5-chloro-2-methylphenyl)-2-[2-(2-hydroxyethyl)piperidin-1-yl]-2-oxoacetamide (CID 108511874) is N-(5-chloro-2-methylphenyl)-2-[2-(2-hydroxyethyl)piperidin-1-yl]-2-oxoacetamide.
What is the SMILES notation for N-(5-chloro-2-methylphenyl)-2-[2-(2-hydroxyethyl)piperidin-1-yl]-2-oxoacetamide?
The canonical SMILES for N-(5-chloro-2-methylphenyl)-2-[2-(2-hydroxyethyl)piperidin-1-yl]-2-oxoacetamide is Cc1ccc(Cl)cc1NC(=O)C(=O)N1CCCCC1CCO.
What is the InChIKey of N-(5-chloro-2-methylphenyl)-2-[2-(2-hydroxyethyl)piperidin-1-yl]-2-oxoacetamide?
The InChIKey is NKDWPKRORHDEER-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN2O3/c1-11-5-6-12(17)10-14(11)18-15(21)16(22)19-8-3-2-4-13(19)7-9-20/h5-6,10,13,20H,2-4,7-9H2,1H3,(H,18,21).
What are the key properties of N-(5-chloro-2-methylphenyl)-2-[2-(2-hydroxyethyl)piperidin-1-yl]-2-oxoacetamide?
N-(5-chloro-2-methylphenyl)-2-[2-(2-hydroxyethyl)piperidin-1-yl]-2-oxoacetamide has a molecular weight of 324.81 g/mol, XLogP of 2.35, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methylphenyl)-2-[2-(2-hydroxyethyl)piperidin-1-yl]-2-oxoacetamide is sourced from PubChem (CID 108511874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).