1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-ethoxyethanone

C12H20N2O3 — CID 60637524

IUPAC1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-ethoxyethanone
SMILESCCOCC(=O)N1CCN(C(=O)C2CC2)CC1
InChIInChI=1S/C12H20N2O3/c1-2-17-9-11(15)13-5-7-14(8-6-13)12(16)10-3-4-10/h10H,2-9H2,1H3
InChIKeyHJVLBRKADBQXQH-UHFFFAOYSA-N
MW240.30 g/mol
LogP0.10
Rot. Bonds4

About 1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-ethoxyethanone

1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-ethoxyethanone (PubChem CID 60637524) has the molecular formula C12H20N2O3 and a molecular weight of 240.30 g/mol. Its IUPAC name is 1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-ethoxyethanone.

Molecular Properties

Compound Name1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-ethoxyethanone
PubChem CID60637524
Molecular FormulaC12H20N2O3
Molecular Weight240.30 g/mol
Exact Mass240.15
IUPAC Name1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-ethoxyethanone
SMILESCCOCC(=O)N1CCN(C(=O)C2CC2)CC1
InChIInChI=1S/C12H20N2O3/c1-2-17-9-11(15)13-5-7-14(8-6-13)12(16)10-3-4-10/h10H,2-9H2,1H3
InChIKeyHJVLBRKADBQXQH-UHFFFAOYSA-N
XLogP0.10
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 50.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-methoxyethanone
CID 60637500
2-ethoxy-1-(4-hydroxypiperidin-1-yl)ethanone
CID 43391718
1-[4-(chloromethyl)piperidin-1-yl]-2-ethoxyethanone
CID 63397851
2-ethoxy-1-[4-(hydroxymethyl)piperidin-1-yl]ethanone
CID 60958052
ethyl 4-(cyclopropanecarbonyl)piperazine-1-carboxylate
CID 30148055
1-[4-[4-(ethoxymethyl)piperidine-1-carbonyl]piperidin-1-yl]propan-1-one
CID 131909918
ethane;2-ethoxy-1-[4-[1-(1-propylazetidine-3-carbonyl)piperidin-4-yl]piperidin-1-yl]ethanone
CID 166466914
1-(2-ethoxyacetyl)piperidine-4-carbohydrazide
CID 63587204
2-ethoxy-1-[4-[4-(1-ethylimidazol-2-yl)piperidine-1-carbonyl]piperidin-1-yl]ethanone
CID 70712099
1-[4-(cyclobutanecarbonyl)-1,4-diazepan-1-yl]propan-1-one
CID 110796478
2-ethoxy-1-(4-propylpiperazin-1-yl)ethanone
CID 60708281
1-(4-tert-butylpiperazin-1-yl)-2-ethoxyethanone
CID 61074490

Frequently Asked Questions

What is the IUPAC name of 1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-ethoxyethanone?
The IUPAC name of 1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-ethoxyethanone (CID 60637524) is 1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-ethoxyethanone.
What is the SMILES notation for 1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-ethoxyethanone?
The canonical SMILES for 1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-ethoxyethanone is CCOCC(=O)N1CCN(C(=O)C2CC2)CC1.
What is the InChIKey of 1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-ethoxyethanone?
The InChIKey is HJVLBRKADBQXQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3/c1-2-17-9-11(15)13-5-7-14(8-6-13)12(16)10-3-4-10/h10H,2-9H2,1H3.
What are the key properties of 1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-ethoxyethanone?
1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-ethoxyethanone has a molecular weight of 240.30 g/mol, XLogP of 0.10, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-ethoxyethanone is sourced from PubChem (CID 60637524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).