(4-ethylpiperazin-1-yl)-(1-methylcyclopropyl)methanone

C11H20N2O — CID 142467328

IUPAC(4-ethylpiperazin-1-yl)-(1-methylcyclopropyl)methanone
SMILESCCN1CCN(C(=O)C2(C)CC2)CC1
InChIInChI=1S/C11H20N2O/c1-3-12-6-8-13(9-7-12)10(14)11(2)4-5-11/h3-9H2,1-2H3
InChIKeyKUUVGFSOWJSMAR-UHFFFAOYSA-N
MW196.29 g/mol
LogP0.95
Rot. Bonds2

About (4-ethylpiperazin-1-yl)-(1-methylcyclopropyl)methanone

(4-ethylpiperazin-1-yl)-(1-methylcyclopropyl)methanone (PubChem CID 142467328) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is (4-ethylpiperazin-1-yl)-(1-methylcyclopropyl)methanone.

Molecular Properties

Compound Name(4-ethylpiperazin-1-yl)-(1-methylcyclopropyl)methanone
PubChem CID142467328
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Name(4-ethylpiperazin-1-yl)-(1-methylcyclopropyl)methanone
SMILESCCN1CCN(C(=O)C2(C)CC2)CC1
InChIInChI=1S/C11H20N2O/c1-3-12-6-8-13(9-7-12)10(14)11(2)4-5-11/h3-9H2,1-2H3
InChIKeyKUUVGFSOWJSMAR-UHFFFAOYSA-N
XLogP0.95
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 50.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4-ethylpiperazin-1-yl)-(1-methylcyclopropyl)methanone?
The IUPAC name of (4-ethylpiperazin-1-yl)-(1-methylcyclopropyl)methanone (CID 142467328) is (4-ethylpiperazin-1-yl)-(1-methylcyclopropyl)methanone.
What is the SMILES notation for (4-ethylpiperazin-1-yl)-(1-methylcyclopropyl)methanone?
The canonical SMILES for (4-ethylpiperazin-1-yl)-(1-methylcyclopropyl)methanone is CCN1CCN(C(=O)C2(C)CC2)CC1.
What is the InChIKey of (4-ethylpiperazin-1-yl)-(1-methylcyclopropyl)methanone?
The InChIKey is KUUVGFSOWJSMAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O/c1-3-12-6-8-13(9-7-12)10(14)11(2)4-5-11/h3-9H2,1-2H3.
What are the key properties of (4-ethylpiperazin-1-yl)-(1-methylcyclopropyl)methanone?
(4-ethylpiperazin-1-yl)-(1-methylcyclopropyl)methanone has a molecular weight of 196.29 g/mol, XLogP of 0.95, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylpiperazin-1-yl)-(1-methylcyclopropyl)methanone is sourced from PubChem (CID 142467328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).