1-(4-ethylpiperazin-1-yl)-2-[1-(5-oxaspiro[2.4]heptane-2-carbonyl)piperidin-4-yl]ethanone

C20H33N3O3 — CID 127874845

IUPAC1-(4-ethylpiperazin-1-yl)-2-[1-(5-oxaspiro[2.4]heptane-2-carbonyl)piperidin-4-yl]ethanone
SMILESCCN1CCN(C(=O)CC2CCN(C(=O)C3CC34CCOC4)CC2)CC1
InChIInChI=1S/C20H33N3O3/c1-2-21-8-10-22(11-9-21)18(24)13-16-3-6-23(7-4-16)19(25)17-14-20(17)5-12-26-15-20/h16-17H,2-15H2,1H3
InChIKeyOPGSQXXUQAGMDA-UHFFFAOYSA-N
MW363.50 g/mol
LogP1.21
Rot. Bonds4

About 1-(4-ethylpiperazin-1-yl)-2-[1-(5-oxaspiro[2.4]heptane-2-carbonyl)piperidin-4-yl]ethanone

1-(4-ethylpiperazin-1-yl)-2-[1-(5-oxaspiro[2.4]heptane-2-carbonyl)piperidin-4-yl]ethanone (PubChem CID 127874845) has the molecular formula C20H33N3O3 and a molecular weight of 363.50 g/mol. Its IUPAC name is 1-(4-ethylpiperazin-1-yl)-2-[1-(5-oxaspiro[2.4]heptane-2-carbonyl)piperidin-4-yl]ethanone.

Molecular Properties

Compound Name1-(4-ethylpiperazin-1-yl)-2-[1-(5-oxaspiro[2.4]heptane-2-carbonyl)piperidin-4-yl]ethanone
PubChem CID127874845
Molecular FormulaC20H33N3O3
Molecular Weight363.50 g/mol
Exact Mass363.25
IUPAC Name1-(4-ethylpiperazin-1-yl)-2-[1-(5-oxaspiro[2.4]heptane-2-carbonyl)piperidin-4-yl]ethanone
SMILESCCN1CCN(C(=O)CC2CCN(C(=O)C3CC34CCOC4)CC2)CC1
InChIInChI=1S/C20H33N3O3/c1-2-21-8-10-22(11-9-21)18(24)13-16-3-6-23(7-4-16)19(25)17-14-20(17)5-12-26-15-20/h16-17H,2-15H2,1H3
InChIKeyOPGSQXXUQAGMDA-UHFFFAOYSA-N
XLogP1.21
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.50
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(4-ethylpiperazin-1-yl)-2-[1-(5-oxaspiro[2.4]heptane-2-carbonyl)piperidin-4-yl]ethanone with MolForge

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Related Compounds

2-[1-(1-aminocyclopropanecarbonyl)piperidin-4-yl]-1-(4-ethylpiperazin-1-yl)ethanone
CID 119879418
2-[1-(3-aminocyclopentanecarbonyl)piperidin-4-yl]-1-(4-ethylpiperazin-1-yl)ethanone;dihydrochloride
CID 119879435
2-cyclopropyl-1-(4-ethyl-1,4-diazepan-1-yl)ethanone
CID 91255593
1-(4-ethylpiperazin-1-yl)-2-[1-[2-(methylamino)acetyl]piperidin-4-yl]ethanone;hydrochloride
CID 120704431
(2R)-2-amino-1-[4-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]piperidin-1-yl]propan-1-one
CID 119879448
2-[4-(aminomethyl)cyclohexyl]-1-(4-ethylpiperazin-1-yl)ethanone
CID 63613214
2-[1-(3-aminobicyclo[2.2.1]heptane-2-carbonyl)piperidin-4-yl]-1-(4-ethylpiperazin-1-yl)ethanone
CID 119879438
2-(1-ethylpiperidin-4-yl)-1-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)ethanone
CID 50950882
1-(4-ethylpiperazin-1-yl)-3-[1-(oxolane-3-carbonyl)piperidin-4-yl]propan-1-one
CID 45182196
N-cyclohexyl-1-(5-oxaspiro[2.4]heptane-2-carbonyl)piperidine-4-carboxamide
CID 136531455
2-(8-azabicyclo[3.2.1]octan-3-yl)-1-(4-ethylpiperazin-1-yl)ethanone
CID 79607332
4-amino-1-[4-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]piperidin-1-yl]-3-methoxybutan-1-one;dihydrochloride
CID 120596615

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylpiperazin-1-yl)-2-[1-(5-oxaspiro[2.4]heptane-2-carbonyl)piperidin-4-yl]ethanone?
The IUPAC name of 1-(4-ethylpiperazin-1-yl)-2-[1-(5-oxaspiro[2.4]heptane-2-carbonyl)piperidin-4-yl]ethanone (CID 127874845) is 1-(4-ethylpiperazin-1-yl)-2-[1-(5-oxaspiro[2.4]heptane-2-carbonyl)piperidin-4-yl]ethanone.
What is the SMILES notation for 1-(4-ethylpiperazin-1-yl)-2-[1-(5-oxaspiro[2.4]heptane-2-carbonyl)piperidin-4-yl]ethanone?
The canonical SMILES for 1-(4-ethylpiperazin-1-yl)-2-[1-(5-oxaspiro[2.4]heptane-2-carbonyl)piperidin-4-yl]ethanone is CCN1CCN(C(=O)CC2CCN(C(=O)C3CC34CCOC4)CC2)CC1.
What is the InChIKey of 1-(4-ethylpiperazin-1-yl)-2-[1-(5-oxaspiro[2.4]heptane-2-carbonyl)piperidin-4-yl]ethanone?
The InChIKey is OPGSQXXUQAGMDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N3O3/c1-2-21-8-10-22(11-9-21)18(24)13-16-3-6-23(7-4-16)19(25)17-14-20(17)5-12-26-15-20/h16-17H,2-15H2,1H3.
What are the key properties of 1-(4-ethylpiperazin-1-yl)-2-[1-(5-oxaspiro[2.4]heptane-2-carbonyl)piperidin-4-yl]ethanone?
1-(4-ethylpiperazin-1-yl)-2-[1-(5-oxaspiro[2.4]heptane-2-carbonyl)piperidin-4-yl]ethanone has a molecular weight of 363.50 g/mol, XLogP of 1.21, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylpiperazin-1-yl)-2-[1-(5-oxaspiro[2.4]heptane-2-carbonyl)piperidin-4-yl]ethanone is sourced from PubChem (CID 127874845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).