2-(2-ethylpiperazin-1-yl)-1-(4-hydroxypiperidin-1-yl)-2-pyridin-3-ylethanone

C18H28N4O2 — CID 83978934

IUPAC2-(2-ethylpiperazin-1-yl)-1-(4-hydroxypiperidin-1-yl)-2-pyridin-3-ylethanone
SMILESCCC1CNCCN1C(C(=O)N1CCC(O)CC1)c1cccnc1
InChIInChI=1S/C18H28N4O2/c1-2-15-13-20-8-11-22(15)17(14-4-3-7-19-12-14)18(24)21-9-5-16(23)6-10-21/h3-4,7,12,15-17,20,23H,2,5-6,8-11,13H2,1H3
InChIKeyYYUWEVFXBIKWOB-UHFFFAOYSA-N
MW332.45 g/mol
LogP0.79
Rot. Bonds4

About 2-(2-ethylpiperazin-1-yl)-1-(4-hydroxypiperidin-1-yl)-2-pyridin-3-ylethanone

2-(2-ethylpiperazin-1-yl)-1-(4-hydroxypiperidin-1-yl)-2-pyridin-3-ylethanone (PubChem CID 83978934) has the molecular formula C18H28N4O2 and a molecular weight of 332.45 g/mol. Its IUPAC name is 2-(2-ethylpiperazin-1-yl)-1-(4-hydroxypiperidin-1-yl)-2-pyridin-3-ylethanone.

Molecular Properties

Compound Name2-(2-ethylpiperazin-1-yl)-1-(4-hydroxypiperidin-1-yl)-2-pyridin-3-ylethanone
PubChem CID83978934
Molecular FormulaC18H28N4O2
Molecular Weight332.45 g/mol
Exact Mass332.22
IUPAC Name2-(2-ethylpiperazin-1-yl)-1-(4-hydroxypiperidin-1-yl)-2-pyridin-3-ylethanone
SMILESCCC1CNCCN1C(C(=O)N1CCC(O)CC1)c1cccnc1
InChIInChI=1S/C18H28N4O2/c1-2-15-13-20-8-11-22(15)17(14-4-3-7-19-12-14)18(24)21-9-5-16(23)6-10-21/h3-4,7,12,15-17,20,23H,2,5-6,8-11,13H2,1H3
InChIKeyYYUWEVFXBIKWOB-UHFFFAOYSA-N
XLogP0.79
TPSA68.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(azepan-1-yl)-2-(2-ethylpiperazin-1-yl)-2-(3-hydroxyphenyl)ethanone
CID 112539341
1-(4-hydroxypiperidin-1-yl)-2-(3-methoxyphenyl)-2-(2-methylpiperazin-1-yl)ethanone
CID 112539372
2-hydroxy-1-piperazin-1-yl-2-pyridin-3-ylethanone
CID 82509337
(2S)-2-piperazin-1-yl-2-pyridin-3-ylacetic acid
CID 93409129
1-(2-piperazin-1-yl-2-pyridin-3-ylethyl)piperidin-4-ol
CID 83978977
2-(2-methylpiperazin-1-yl)-1-morpholin-4-yl-2-pyridin-4-ylethanone
CID 83980011
5-[[1-(2-pyridin-3-yl-2-pyrrolidin-1-ylacetyl)piperidin-4-yl]methyl]-1H-pyridin-2-one
CID 138381061
1-piperazin-1-yl-3-pyridin-3-ylbutan-1-one
CID 82510316
2-(3-hydroxyphenyl)-1-(4-hydroxypiperidin-1-yl)-2-piperazin-1-ylethanone
CID 83977979
N-methyl-2-(1-methylpiperazin-2-yl)-1-pyridin-3-ylethanamine
CID 116956967
2-ethyl-1-(2-pyridin-3-ylpiperazin-1-yl)butan-1-one
CID 120731770
(2R)-2-pyridin-3-yl-1-[4-(1H-pyrrole-2-carbonyl)piperazin-1-yl]-2-pyrrolidin-1-ylethanone
CID 97284567

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylpiperazin-1-yl)-1-(4-hydroxypiperidin-1-yl)-2-pyridin-3-ylethanone?
The IUPAC name of 2-(2-ethylpiperazin-1-yl)-1-(4-hydroxypiperidin-1-yl)-2-pyridin-3-ylethanone (CID 83978934) is 2-(2-ethylpiperazin-1-yl)-1-(4-hydroxypiperidin-1-yl)-2-pyridin-3-ylethanone.
What is the SMILES notation for 2-(2-ethylpiperazin-1-yl)-1-(4-hydroxypiperidin-1-yl)-2-pyridin-3-ylethanone?
The canonical SMILES for 2-(2-ethylpiperazin-1-yl)-1-(4-hydroxypiperidin-1-yl)-2-pyridin-3-ylethanone is CCC1CNCCN1C(C(=O)N1CCC(O)CC1)c1cccnc1.
What is the InChIKey of 2-(2-ethylpiperazin-1-yl)-1-(4-hydroxypiperidin-1-yl)-2-pyridin-3-ylethanone?
The InChIKey is YYUWEVFXBIKWOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O2/c1-2-15-13-20-8-11-22(15)17(14-4-3-7-19-12-14)18(24)21-9-5-16(23)6-10-21/h3-4,7,12,15-17,20,23H,2,5-6,8-11,13H2,1H3.
What are the key properties of 2-(2-ethylpiperazin-1-yl)-1-(4-hydroxypiperidin-1-yl)-2-pyridin-3-ylethanone?
2-(2-ethylpiperazin-1-yl)-1-(4-hydroxypiperidin-1-yl)-2-pyridin-3-ylethanone has a molecular weight of 332.45 g/mol, XLogP of 0.79, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylpiperazin-1-yl)-1-(4-hydroxypiperidin-1-yl)-2-pyridin-3-ylethanone is sourced from PubChem (CID 83978934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).