N-(4-ethylphenyl)-2-[3-(hydroxymethyl)piperidin-1-yl]-2-oxoacetamide

C16H22N2O3 — CID 111797796

IUPACN-(4-ethylphenyl)-2-[3-(hydroxymethyl)piperidin-1-yl]-2-oxoacetamide
SMILESCCc1ccc(NC(=O)C(=O)N2CCCC(CO)C2)cc1
InChIInChI=1S/C16H22N2O3/c1-2-12-5-7-14(8-6-12)17-15(20)16(21)18-9-3-4-13(10-18)11-19/h5-8,13,19H,2-4,9-11H2,1H3,(H,17,20)
InChIKeyXYEIUQWKBPHWRU-UHFFFAOYSA-N
MW290.36 g/mol
LogP1.42
Rot. Bonds3

About N-(4-ethylphenyl)-2-[3-(hydroxymethyl)piperidin-1-yl]-2-oxoacetamide

N-(4-ethylphenyl)-2-[3-(hydroxymethyl)piperidin-1-yl]-2-oxoacetamide (PubChem CID 111797796) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is N-(4-ethylphenyl)-2-[3-(hydroxymethyl)piperidin-1-yl]-2-oxoacetamide.

Molecular Properties

Compound NameN-(4-ethylphenyl)-2-[3-(hydroxymethyl)piperidin-1-yl]-2-oxoacetamide
PubChem CID111797796
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC NameN-(4-ethylphenyl)-2-[3-(hydroxymethyl)piperidin-1-yl]-2-oxoacetamide
SMILESCCc1ccc(NC(=O)C(=O)N2CCCC(CO)C2)cc1
InChIInChI=1S/C16H22N2O3/c1-2-12-5-7-14(8-6-12)17-15(20)16(21)18-9-3-4-13(10-18)11-19/h5-8,13,19H,2-4,9-11H2,1H3,(H,17,20)
InChIKeyXYEIUQWKBPHWRU-UHFFFAOYSA-N
XLogP1.42
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 51.42
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-(3-fluoro-4-methylphenyl)-2-[3-(hydroxymethyl)piperidin-1-yl]-2-oxoacetamide
CID 111797779
N-(4-butylphenyl)-3-(hydroxymethyl)piperidine-1-carboxamide
CID 110890423
2-[1-[(4-ethylphenyl)carbamoyl]piperidin-3-yl]acetic acid
CID 62689955
N-[2-(4-ethylphenyl)ethyl]-3-(hydroxymethyl)piperidine-1-carboxamide
CID 111435204
N-[4-[2-[3-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]phenyl]acetamide
CID 43403590
2-[3-(hydroxymethyl)pyrrolidin-1-yl]-2-oxo-N-(4-phenylphenyl)acetamide
CID 111798598
2-[4-[[3-(hydroxymethyl)piperidine-1-carbonyl]amino]phenyl]acetic acid
CID 61200700
(3R)-N-(4-chlorophenyl)-3-(hydroxymethyl)piperidine-1-carboxamide
CID 9120034
N-(3,4-dichlorophenyl)-2-[3-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoacetamide
CID 111798594
2-(2,6-dimethylpiperidin-1-yl)-N-(4-ethylphenyl)-2-oxoacetamide
CID 108522285
N-(4-ethylphenyl)-2-oxo-2-(4-phenylpiperazin-1-yl)acetamide
CID 44999577
N-(4-ethylphenyl)-2-(2-ethylpiperidin-1-yl)-2-oxoacetamide
CID 108522277

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-2-[3-(hydroxymethyl)piperidin-1-yl]-2-oxoacetamide?
The IUPAC name of N-(4-ethylphenyl)-2-[3-(hydroxymethyl)piperidin-1-yl]-2-oxoacetamide (CID 111797796) is N-(4-ethylphenyl)-2-[3-(hydroxymethyl)piperidin-1-yl]-2-oxoacetamide.
What is the SMILES notation for N-(4-ethylphenyl)-2-[3-(hydroxymethyl)piperidin-1-yl]-2-oxoacetamide?
The canonical SMILES for N-(4-ethylphenyl)-2-[3-(hydroxymethyl)piperidin-1-yl]-2-oxoacetamide is CCc1ccc(NC(=O)C(=O)N2CCCC(CO)C2)cc1.
What is the InChIKey of N-(4-ethylphenyl)-2-[3-(hydroxymethyl)piperidin-1-yl]-2-oxoacetamide?
The InChIKey is XYEIUQWKBPHWRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-2-12-5-7-14(8-6-12)17-15(20)16(21)18-9-3-4-13(10-18)11-19/h5-8,13,19H,2-4,9-11H2,1H3,(H,17,20).
What are the key properties of N-(4-ethylphenyl)-2-[3-(hydroxymethyl)piperidin-1-yl]-2-oxoacetamide?
N-(4-ethylphenyl)-2-[3-(hydroxymethyl)piperidin-1-yl]-2-oxoacetamide has a molecular weight of 290.36 g/mol, XLogP of 1.42, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-2-[3-(hydroxymethyl)piperidin-1-yl]-2-oxoacetamide is sourced from PubChem (CID 111797796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).