N-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]phenyl]acetamide

C16H22N2O2 — CID 24537530

IUPACN-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(CC(=O)N2CCCCC2C)cc1
InChIInChI=1S/C16H22N2O2/c1-12-5-3-4-10-18(12)16(20)11-14-6-8-15(9-7-14)17-13(2)19/h6-9,12H,3-5,10-11H2,1-2H3,(H,17,19)
InChIKeyYBXXTVHDQMMPSM-UHFFFAOYSA-N
MW274.36 g/mol
LogP2.59
Rot. Bonds3

About N-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]phenyl]acetamide

N-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]phenyl]acetamide (PubChem CID 24537530) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is N-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]phenyl]acetamide
PubChem CID24537530
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC NameN-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(CC(=O)N2CCCCC2C)cc1
InChIInChI=1S/C16H22N2O2/c1-12-5-3-4-10-18(12)16(20)11-14-6-8-15(9-7-14)17-13(2)19/h6-9,12H,3-5,10-11H2,1-2H3,(H,17,19)
InChIKeyYBXXTVHDQMMPSM-UHFFFAOYSA-N
XLogP2.59
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-hydroxyphenyl)-1-(2-methylpiperidin-1-yl)ethanone
CID 110465878
2-(4-methoxyphenyl)-1-[(2R)-2-methylpiperidin-1-yl]ethanone
CID 176781017
1-[(2S)-2-methylpiperidin-1-yl]-2-(4-pyridin-4-ylphenyl)ethanone
CID 176809674
N-[4-[(2R)-2-methylpiperidine-1-carbonyl]phenyl]acetamide
CID 669487
N-[4-[(2-methylazepane-1-carbothioyl)amino]phenyl]acetamide
CID 78962641
N-[4-[2-[2-(2-chlorophenyl)pyrrolidin-1-yl]-2-oxoethyl]phenyl]acetamide
CID 87028050
2-(3,4-dimethoxyphenyl)-1-(2-methylpiperidin-1-yl)ethanone
CID 4167532
N-(4-acetamidophenyl)-2-(2-methylpiperidin-1-yl)acetamide
CID 4818604
2-[4-(4-fluorophenoxy)phenyl]-1-(2-methylpyrrolidin-1-yl)ethanone
CID 170963359
2-(6-methoxy-3-pyridinyl)-1-[(2S)-2-methylpiperidin-1-yl]ethanone
CID 176781033
2-(3,4-diaminophenyl)-1-(2-methylpyrrolidin-1-yl)ethanone
CID 21294525
N-[4-[2-(3,4-dihydroxypyrrolidin-1-yl)-2-oxoethyl]phenyl]acetamide
CID 106671076

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]phenyl]acetamide?
The IUPAC name of N-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]phenyl]acetamide (CID 24537530) is N-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]phenyl]acetamide?
The canonical SMILES for N-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]phenyl]acetamide is CC(=O)Nc1ccc(CC(=O)N2CCCCC2C)cc1.
What is the InChIKey of N-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]phenyl]acetamide?
The InChIKey is YBXXTVHDQMMPSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-12-5-3-4-10-18(12)16(20)11-14-6-8-15(9-7-14)17-13(2)19/h6-9,12H,3-5,10-11H2,1-2H3,(H,17,19).
What are the key properties of N-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]phenyl]acetamide?
N-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]phenyl]acetamide has a molecular weight of 274.36 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]phenyl]acetamide is sourced from PubChem (CID 24537530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).