4-ethyl-3-[2-[4-(3-hydroxyphenyl)piperidin-1-yl]-2-oxoethyl]piperazin-2-one

C19H27N3O3 — CID 118786306

IUPAC4-ethyl-3-[2-[4-(3-hydroxyphenyl)piperidin-1-yl]-2-oxoethyl]piperazin-2-one
SMILESCCN1CCNC(=O)C1CC(=O)N1CCC(c2cccc(O)c2)CC1
InChIInChI=1S/C19H27N3O3/c1-2-21-11-8-20-19(25)17(21)13-18(24)22-9-6-14(7-10-22)15-4-3-5-16(23)12-15/h3-5,12,14,17,23H,2,6-11,13H2,1H3,(H,20,25)
InChIKeyFYGOEBAVJJFUOG-UHFFFAOYSA-N
MW345.44 g/mol
LogP1.31
Rot. Bonds4

About 4-ethyl-3-[2-[4-(3-hydroxyphenyl)piperidin-1-yl]-2-oxoethyl]piperazin-2-one

4-ethyl-3-[2-[4-(3-hydroxyphenyl)piperidin-1-yl]-2-oxoethyl]piperazin-2-one (PubChem CID 118786306) has the molecular formula C19H27N3O3 and a molecular weight of 345.44 g/mol. Its IUPAC name is 4-ethyl-3-[2-[4-(3-hydroxyphenyl)piperidin-1-yl]-2-oxoethyl]piperazin-2-one.

Molecular Properties

Compound Name4-ethyl-3-[2-[4-(3-hydroxyphenyl)piperidin-1-yl]-2-oxoethyl]piperazin-2-one
PubChem CID118786306
Molecular FormulaC19H27N3O3
Molecular Weight345.44 g/mol
Exact Mass345.21
IUPAC Name4-ethyl-3-[2-[4-(3-hydroxyphenyl)piperidin-1-yl]-2-oxoethyl]piperazin-2-one
SMILESCCN1CCNC(=O)C1CC(=O)N1CCC(c2cccc(O)c2)CC1
InChIInChI=1S/C19H27N3O3/c1-2-21-11-8-20-19(25)17(21)13-18(24)22-9-6-14(7-10-22)15-4-3-5-16(23)12-15/h3-5,12,14,17,23H,2,6-11,13H2,1H3,(H,20,25)
InChIKeyFYGOEBAVJJFUOG-UHFFFAOYSA-N
XLogP1.31
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-ethyl-3-[2-[4-(3-hydroxyphenyl)piperidin-1-yl]-2-oxoethyl]piperazin-2-one with MolForge

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Related Compounds

3-[2-oxo-2-(4-phenylpiperidin-1-yl)ethyl]-4-(pyridin-2-ylmethyl)piperazin-2-one
CID 45229335
2-[1-[(3-hydroxyphenyl)methyl]-3-oxopiperazin-2-yl]acetic acid
CID 65071352
4-[(2-methylphenyl)methyl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-2-one
CID 45201951
4-benzyl-3-[2-(3-ethyl-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridin-5-yl)-2-oxoethyl]piperazin-2-one
CID 75590147
3-[2-(azocan-1-yl)-2-oxoethyl]-4-benzylpiperazin-2-one
CID 46984429
methyl 1-[2-[1-[(3,5-dimethoxyphenyl)methyl]-3-oxopiperazin-2-yl]acetyl]piperidine-4-carboxylate
CID 45221729
(3R)-3-[2-(4-acetyl-1,4-diazepan-1-yl)-2-oxoethyl]-4-[(2-methylphenyl)methyl]piperazin-2-one
CID 25277529
3-[2-(azocan-1-yl)-2-oxoethyl]-4-[(3-fluorophenyl)methyl]piperazin-2-one
CID 45243475
4-benzyl-3-[2-(4-ethylsulfonylpiperazin-1-yl)-2-oxoethyl]piperazin-2-one
CID 50968053
4-ethyl-3-[2-oxo-2-(4-pyrazin-2-yl-1,4-diazepan-1-yl)ethyl]piperazin-2-one
CID 138387188
4-(2,2-diphenylethyl)-3-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-2-one
CID 45244864
(3R)-4-(naphthalen-1-ylmethyl)-3-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-2-one
CID 95708042

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-3-[2-[4-(3-hydroxyphenyl)piperidin-1-yl]-2-oxoethyl]piperazin-2-one?
The IUPAC name of 4-ethyl-3-[2-[4-(3-hydroxyphenyl)piperidin-1-yl]-2-oxoethyl]piperazin-2-one (CID 118786306) is 4-ethyl-3-[2-[4-(3-hydroxyphenyl)piperidin-1-yl]-2-oxoethyl]piperazin-2-one.
What is the SMILES notation for 4-ethyl-3-[2-[4-(3-hydroxyphenyl)piperidin-1-yl]-2-oxoethyl]piperazin-2-one?
The canonical SMILES for 4-ethyl-3-[2-[4-(3-hydroxyphenyl)piperidin-1-yl]-2-oxoethyl]piperazin-2-one is CCN1CCNC(=O)C1CC(=O)N1CCC(c2cccc(O)c2)CC1.
What is the InChIKey of 4-ethyl-3-[2-[4-(3-hydroxyphenyl)piperidin-1-yl]-2-oxoethyl]piperazin-2-one?
The InChIKey is FYGOEBAVJJFUOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O3/c1-2-21-11-8-20-19(25)17(21)13-18(24)22-9-6-14(7-10-22)15-4-3-5-16(23)12-15/h3-5,12,14,17,23H,2,6-11,13H2,1H3,(H,20,25).
What are the key properties of 4-ethyl-3-[2-[4-(3-hydroxyphenyl)piperidin-1-yl]-2-oxoethyl]piperazin-2-one?
4-ethyl-3-[2-[4-(3-hydroxyphenyl)piperidin-1-yl]-2-oxoethyl]piperazin-2-one has a molecular weight of 345.44 g/mol, XLogP of 1.31, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-3-[2-[4-(3-hydroxyphenyl)piperidin-1-yl]-2-oxoethyl]piperazin-2-one is sourced from PubChem (CID 118786306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).