2-(4-acetylpiperazin-1-yl)-1-(2-ethylpiperidin-1-yl)ethanone

C15H27N3O2 — CID 108996084

IUPAC2-(4-acetylpiperazin-1-yl)-1-(2-ethylpiperidin-1-yl)ethanone
SMILESCCC1CCCCN1C(=O)CN1CCN(C(C)=O)CC1
InChIInChI=1S/C15H27N3O2/c1-3-14-6-4-5-7-18(14)15(20)12-16-8-10-17(11-9-16)13(2)19/h14H,3-12H2,1-2H3
InChIKeyOFQDPJHEYKAJNA-UHFFFAOYSA-N
MW281.40 g/mol
LogP0.94
Rot. Bonds3

About 2-(4-acetylpiperazin-1-yl)-1-(2-ethylpiperidin-1-yl)ethanone

2-(4-acetylpiperazin-1-yl)-1-(2-ethylpiperidin-1-yl)ethanone (PubChem CID 108996084) has the molecular formula C15H27N3O2 and a molecular weight of 281.40 g/mol. Its IUPAC name is 2-(4-acetylpiperazin-1-yl)-1-(2-ethylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-(4-acetylpiperazin-1-yl)-1-(2-ethylpiperidin-1-yl)ethanone
PubChem CID108996084
Molecular FormulaC15H27N3O2
Molecular Weight281.40 g/mol
Exact Mass281.21
IUPAC Name2-(4-acetylpiperazin-1-yl)-1-(2-ethylpiperidin-1-yl)ethanone
SMILESCCC1CCCCN1C(=O)CN1CCN(C(C)=O)CC1
InChIInChI=1S/C15H27N3O2/c1-3-14-6-4-5-7-18(14)15(20)12-16-8-10-17(11-9-16)13(2)19/h14H,3-12H2,1-2H3
InChIKeyOFQDPJHEYKAJNA-UHFFFAOYSA-N
XLogP0.94
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 50.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-ethylpiperidin-1-yl)-2-[4-(1-hydroxyethyl)piperidin-1-yl]ethanone
CID 103657075
2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1-(2-ethylpiperidin-1-yl)ethanone
CID 109003227
1-(2-ethylazepan-1-yl)ethanone
CID 115642380
1-[(2R)-2-ethylpiperidin-1-yl]propan-1-one
CID 40538705
1-(2-ethylpiperidin-1-yl)-2-(3-hydroxypiperidin-1-yl)ethanone
CID 55028926
2-(3,5-dimethylpiperazin-1-yl)-1-(2-ethylpiperidin-1-yl)ethanone
CID 63872741
2-[(3S)-3-aminopyrrolidin-1-yl]-1-(2-ethylpiperidin-1-yl)ethanone;hydrochloride
CID 119933610
2-[4-(cyclopropylmethylamino)piperidin-1-yl]-1-(2-ethylpiperidin-1-yl)ethanone
CID 119926286
(4-ethylpiperazin-1-yl)-(2-ethylpiperidin-1-yl)methanone
CID 108988506
2-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-1-(2-ethylpiperidin-1-yl)ethanone
CID 55544127
1-(2-ethylpiperidin-1-yl)-2-(4-hydroxy-3-methylpiperidin-1-yl)ethanone
CID 114681192
N-(2-ethylphenyl)-2-[4-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]acetamide
CID 55410792

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetylpiperazin-1-yl)-1-(2-ethylpiperidin-1-yl)ethanone?
The IUPAC name of 2-(4-acetylpiperazin-1-yl)-1-(2-ethylpiperidin-1-yl)ethanone (CID 108996084) is 2-(4-acetylpiperazin-1-yl)-1-(2-ethylpiperidin-1-yl)ethanone.
What is the SMILES notation for 2-(4-acetylpiperazin-1-yl)-1-(2-ethylpiperidin-1-yl)ethanone?
The canonical SMILES for 2-(4-acetylpiperazin-1-yl)-1-(2-ethylpiperidin-1-yl)ethanone is CCC1CCCCN1C(=O)CN1CCN(C(C)=O)CC1.
What is the InChIKey of 2-(4-acetylpiperazin-1-yl)-1-(2-ethylpiperidin-1-yl)ethanone?
The InChIKey is OFQDPJHEYKAJNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O2/c1-3-14-6-4-5-7-18(14)15(20)12-16-8-10-17(11-9-16)13(2)19/h14H,3-12H2,1-2H3.
What are the key properties of 2-(4-acetylpiperazin-1-yl)-1-(2-ethylpiperidin-1-yl)ethanone?
2-(4-acetylpiperazin-1-yl)-1-(2-ethylpiperidin-1-yl)ethanone has a molecular weight of 281.40 g/mol, XLogP of 0.94, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetylpiperazin-1-yl)-1-(2-ethylpiperidin-1-yl)ethanone is sourced from PubChem (CID 108996084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).