N-[4-[2-(3-ethylpiperidin-1-yl)-2-oxoethyl]phenyl]acetamide

C17H24N2O2 — CID 86981185

IUPACN-[4-[2-(3-ethylpiperidin-1-yl)-2-oxoethyl]phenyl]acetamide
SMILESCCC1CCCN(C(=O)Cc2ccc(NC(C)=O)cc2)C1
InChIInChI=1S/C17H24N2O2/c1-3-14-5-4-10-19(12-14)17(21)11-15-6-8-16(9-7-15)18-13(2)20/h6-9,14H,3-5,10-12H2,1-2H3,(H,18,20)
InChIKeyNCGPWTDWCYEPTC-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.84
Rot. Bonds4

About N-[4-[2-(3-ethylpiperidin-1-yl)-2-oxoethyl]phenyl]acetamide

N-[4-[2-(3-ethylpiperidin-1-yl)-2-oxoethyl]phenyl]acetamide (PubChem CID 86981185) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is N-[4-[2-(3-ethylpiperidin-1-yl)-2-oxoethyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[2-(3-ethylpiperidin-1-yl)-2-oxoethyl]phenyl]acetamide
PubChem CID86981185
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC NameN-[4-[2-(3-ethylpiperidin-1-yl)-2-oxoethyl]phenyl]acetamide
SMILESCCC1CCCN(C(=O)Cc2ccc(NC(C)=O)cc2)C1
InChIInChI=1S/C17H24N2O2/c1-3-14-5-4-10-19(12-14)17(21)11-15-6-8-16(9-7-15)18-13(2)20/h6-9,14H,3-5,10-12H2,1-2H3,(H,18,20)
InChIKeyNCGPWTDWCYEPTC-UHFFFAOYSA-N
XLogP2.84
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-[2-[3-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]phenyl]acetamide
CID 43403590
4-[2-(3-ethylpiperidin-1-yl)-2-oxoethyl]benzenecarbothioamide
CID 63591217
N-[4-[2-(3,4-dihydroxypyrrolidin-1-yl)-2-oxoethyl]phenyl]acetamide
CID 106671076
1-(3-ethylpiperidin-1-yl)-2-(3-hydroxyphenyl)ethanone
CID 61399726
4-[2-[(3R)-3-ethylpyrrolidin-1-yl]-2-oxoethyl]benzoic acid
CID 129470742
N-[4-[2-[3-[[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]-2-oxoethyl]phenyl]acetamide
CID 91918981
3-ethyl-N-(4-methoxyphenyl)piperidine-1-carboxamide
CID 47177019
N-[4-[2-[3-(4-methoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]phenyl]acetamide
CID 122243074
2-(4-ethoxyphenyl)-1-[3-(hydroxymethyl)piperidin-1-yl]ethanone
CID 43403279
N-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]phenyl]acetamide
CID 24537530
1-[3-(2-aminoethyl)piperidin-1-yl]-2-(4-methylphenyl)ethanone
CID 63765937
2-[4-[[3-(hydroxymethyl)piperidine-1-carbonyl]amino]phenyl]acetic acid
CID 61200700

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(3-ethylpiperidin-1-yl)-2-oxoethyl]phenyl]acetamide?
The IUPAC name of N-[4-[2-(3-ethylpiperidin-1-yl)-2-oxoethyl]phenyl]acetamide (CID 86981185) is N-[4-[2-(3-ethylpiperidin-1-yl)-2-oxoethyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[2-(3-ethylpiperidin-1-yl)-2-oxoethyl]phenyl]acetamide?
The canonical SMILES for N-[4-[2-(3-ethylpiperidin-1-yl)-2-oxoethyl]phenyl]acetamide is CCC1CCCN(C(=O)Cc2ccc(NC(C)=O)cc2)C1.
What is the InChIKey of N-[4-[2-(3-ethylpiperidin-1-yl)-2-oxoethyl]phenyl]acetamide?
The InChIKey is NCGPWTDWCYEPTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-3-14-5-4-10-19(12-14)17(21)11-15-6-8-16(9-7-15)18-13(2)20/h6-9,14H,3-5,10-12H2,1-2H3,(H,18,20).
What are the key properties of N-[4-[2-(3-ethylpiperidin-1-yl)-2-oxoethyl]phenyl]acetamide?
N-[4-[2-(3-ethylpiperidin-1-yl)-2-oxoethyl]phenyl]acetamide has a molecular weight of 288.39 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(3-ethylpiperidin-1-yl)-2-oxoethyl]phenyl]acetamide is sourced from PubChem (CID 86981185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).