1-[2-(4-amino-3-ethylpiperidin-1-yl)acetyl]imidazolidin-2-one

C12H22N4O2 — CID 81459873

IUPAC1-[2-(4-amino-3-ethylpiperidin-1-yl)acetyl]imidazolidin-2-one
SMILESCCC1CN(CC(=O)N2CCNC2=O)CCC1N
InChIInChI=1S/C12H22N4O2/c1-2-9-7-15(5-3-10(9)13)8-11(17)16-6-4-14-12(16)18/h9-10H,2-8,13H2,1H3,(H,14,18)
InChIKeyWOGJGWAAULCDEQ-UHFFFAOYSA-N
MW254.33 g/mol
LogP-0.40
Rot. Bonds3

About 1-[2-(4-amino-3-ethylpiperidin-1-yl)acetyl]imidazolidin-2-one

1-[2-(4-amino-3-ethylpiperidin-1-yl)acetyl]imidazolidin-2-one (PubChem CID 81459873) has the molecular formula C12H22N4O2 and a molecular weight of 254.33 g/mol. Its IUPAC name is 1-[2-(4-amino-3-ethylpiperidin-1-yl)acetyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[2-(4-amino-3-ethylpiperidin-1-yl)acetyl]imidazolidin-2-one
PubChem CID81459873
Molecular FormulaC12H22N4O2
Molecular Weight254.33 g/mol
Exact Mass254.17
IUPAC Name1-[2-(4-amino-3-ethylpiperidin-1-yl)acetyl]imidazolidin-2-one
SMILESCCC1CN(CC(=O)N2CCNC2=O)CCC1N
InChIInChI=1S/C12H22N4O2/c1-2-9-7-15(5-3-10(9)13)8-11(17)16-6-4-14-12(16)18/h9-10H,2-8,13H2,1H3,(H,14,18)
InChIKeyWOGJGWAAULCDEQ-UHFFFAOYSA-N
XLogP-0.40
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 5-0.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(Cyclopentylcarbamoylamino)-2-oxoethyl]piperidine-4-carboxamide
CID 2426524
N-(cyclohexylcarbamoyl)-2-(3-methylpiperidin-1-yl)acetamide
CID 16286794
2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-(4-methylcyclohexyl)acetamide
CID 24982857
3-[2-(2,6-Dimethylpiperidin-1-yl)-2-oxoethyl]-5-methyl-5-(2-methylpropyl)imidazolidine-2,4-dione
CID 4682145
N-cyclohexyl-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 2109987
N-cyclohexyl-N-methyl-2-[4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 4520677
6,8,9-Trimethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 607189
N-cyclohexyl-2-[4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 16293462
(5R)-6,8,9-Trimethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 5389126
3-Cyclohexyl-5-isopropylimidazolidine-2,4-dione
CID 5273849
5-(Butan-2-yl)-3-cyclohexylimidazolidine-2,4-dione
CID 5273851
3-[2-(3,5-Dimethylpiperidin-1-yl)-2-oxoethyl]-5,5-dimethylimidazolidine-2,4-dione
CID 24979519

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-amino-3-ethylpiperidin-1-yl)acetyl]imidazolidin-2-one?
The IUPAC name of 1-[2-(4-amino-3-ethylpiperidin-1-yl)acetyl]imidazolidin-2-one (CID 81459873) is 1-[2-(4-amino-3-ethylpiperidin-1-yl)acetyl]imidazolidin-2-one.
What is the SMILES notation for 1-[2-(4-amino-3-ethylpiperidin-1-yl)acetyl]imidazolidin-2-one?
The canonical SMILES for 1-[2-(4-amino-3-ethylpiperidin-1-yl)acetyl]imidazolidin-2-one is CCC1CN(CC(=O)N2CCNC2=O)CCC1N.
What is the InChIKey of 1-[2-(4-amino-3-ethylpiperidin-1-yl)acetyl]imidazolidin-2-one?
The InChIKey is WOGJGWAAULCDEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O2/c1-2-9-7-15(5-3-10(9)13)8-11(17)16-6-4-14-12(16)18/h9-10H,2-8,13H2,1H3,(H,14,18).
What are the key properties of 1-[2-(4-amino-3-ethylpiperidin-1-yl)acetyl]imidazolidin-2-one?
1-[2-(4-amino-3-ethylpiperidin-1-yl)acetyl]imidazolidin-2-one has a molecular weight of 254.33 g/mol, XLogP of -0.40, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-amino-3-ethylpiperidin-1-yl)acetyl]imidazolidin-2-one is sourced from PubChem (CID 81459873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).