N-(2-chloro-4-methylphenyl)-2-[4-(1-hydroxyethyl)piperidin-1-yl]-2-oxoacetamide

C16H21ClN2O3 — CID 111117390

IUPACN-(2-chloro-4-methylphenyl)-2-[4-(1-hydroxyethyl)piperidin-1-yl]-2-oxoacetamide
SMILESCc1ccc(NC(=O)C(=O)N2CCC(C(C)O)CC2)c(Cl)c1
InChIInChI=1S/C16H21ClN2O3/c1-10-3-4-14(13(17)9-10)18-15(21)16(22)19-7-5-12(6-8-19)11(2)20/h3-4,9,11-12,20H,5-8H2,1-2H3,(H,18,21)
InChIKeyMBFKBNTZRGJGSD-UHFFFAOYSA-N
MW324.81 g/mol
LogP2.21
Rot. Bonds2

About N-(2-chloro-4-methylphenyl)-2-[4-(1-hydroxyethyl)piperidin-1-yl]-2-oxoacetamide

N-(2-chloro-4-methylphenyl)-2-[4-(1-hydroxyethyl)piperidin-1-yl]-2-oxoacetamide (PubChem CID 111117390) has the molecular formula C16H21ClN2O3 and a molecular weight of 324.81 g/mol. Its IUPAC name is N-(2-chloro-4-methylphenyl)-2-[4-(1-hydroxyethyl)piperidin-1-yl]-2-oxoacetamide.

Molecular Properties

Compound NameN-(2-chloro-4-methylphenyl)-2-[4-(1-hydroxyethyl)piperidin-1-yl]-2-oxoacetamide
PubChem CID111117390
Molecular FormulaC16H21ClN2O3
Molecular Weight324.81 g/mol
Exact Mass324.12
IUPAC NameN-(2-chloro-4-methylphenyl)-2-[4-(1-hydroxyethyl)piperidin-1-yl]-2-oxoacetamide
SMILESCc1ccc(NC(=O)C(=O)N2CCC(C(C)O)CC2)c(Cl)c1
InChIInChI=1S/C16H21ClN2O3/c1-10-3-4-14(13(17)9-10)18-15(21)16(22)19-7-5-12(6-8-19)11(2)20/h3-4,9,11-12,20H,5-8H2,1-2H3,(H,18,21)
InChIKeyMBFKBNTZRGJGSD-UHFFFAOYSA-N
XLogP2.21
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.81
LogP ≤ 52.21
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

2-[4-(1-hydroxyethyl)piperidin-1-yl]-2-oxo-N-(2,4,6-trimethylphenyl)acetamide
CID 111117369
4-[(2S)-1-(2-chloro-4-methylanilino)-1-oxopropan-2-yl]-N-phenylpiperidine-1-carboxamide
CID 95065281
N-(2-chloro-4-methylphenyl)-1-(2-methylpropanoyl)piperidine-4-carboxamide
CID 31775816
N-(2,4-dimethylphenyl)-2-[4-(hydroxymethyl)piperidin-1-yl]-2-oxoacetamide
CID 110901731
N-(2-chloro-4-methylphenyl)-2-[(1S,5S)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]-2-oxoacetamide
CID 99593979
N-(2-chloro-4-fluorophenyl)-2-(4-hydroxypiperidin-1-yl)-2-oxoacetamide
CID 47336644
N-(2,4-dichlorophenyl)-2-[4-(1-hydroxyethyl)piperidin-1-yl]propanamide
CID 111114146
1-[1-(2-chloro-4-methylphenyl)sulfonylpiperidin-4-yl]ethanol
CID 103834565
N-(2-chloro-4-methylphenyl)-4-propan-2-ylpiperazine-1-carboxamide
CID 17148611
(4aS,8aS)-N-(2-chloro-4-methylphenyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2-carboxamide
CID 51944346
ethyl 4-[2-(2,4-dichloroanilino)-2-oxoacetyl]piperazine-1-carboxylate
CID 108502954
N-(3-chlorophenyl)-2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-2-oxoacetamide
CID 110019344

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-methylphenyl)-2-[4-(1-hydroxyethyl)piperidin-1-yl]-2-oxoacetamide?
The IUPAC name of N-(2-chloro-4-methylphenyl)-2-[4-(1-hydroxyethyl)piperidin-1-yl]-2-oxoacetamide (CID 111117390) is N-(2-chloro-4-methylphenyl)-2-[4-(1-hydroxyethyl)piperidin-1-yl]-2-oxoacetamide.
What is the SMILES notation for N-(2-chloro-4-methylphenyl)-2-[4-(1-hydroxyethyl)piperidin-1-yl]-2-oxoacetamide?
The canonical SMILES for N-(2-chloro-4-methylphenyl)-2-[4-(1-hydroxyethyl)piperidin-1-yl]-2-oxoacetamide is Cc1ccc(NC(=O)C(=O)N2CCC(C(C)O)CC2)c(Cl)c1.
What is the InChIKey of N-(2-chloro-4-methylphenyl)-2-[4-(1-hydroxyethyl)piperidin-1-yl]-2-oxoacetamide?
The InChIKey is MBFKBNTZRGJGSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN2O3/c1-10-3-4-14(13(17)9-10)18-15(21)16(22)19-7-5-12(6-8-19)11(2)20/h3-4,9,11-12,20H,5-8H2,1-2H3,(H,18,21).
What are the key properties of N-(2-chloro-4-methylphenyl)-2-[4-(1-hydroxyethyl)piperidin-1-yl]-2-oxoacetamide?
N-(2-chloro-4-methylphenyl)-2-[4-(1-hydroxyethyl)piperidin-1-yl]-2-oxoacetamide has a molecular weight of 324.81 g/mol, XLogP of 2.21, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-methylphenyl)-2-[4-(1-hydroxyethyl)piperidin-1-yl]-2-oxoacetamide is sourced from PubChem (CID 111117390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).