(1-ethylcyclopropyl)-(4-methylpiperazin-1-yl)methanone

C11H20N2O — CID 130161826

IUPAC(1-ethylcyclopropyl)-(4-methylpiperazin-1-yl)methanone
SMILESCCC1(C(=O)N2CCN(C)CC2)CC1
InChIInChI=1S/C11H20N2O/c1-3-11(4-5-11)10(14)13-8-6-12(2)7-9-13/h3-9H2,1-2H3
InChIKeyZQCAPODODODEHK-UHFFFAOYSA-N
MW196.29 g/mol
LogP0.95
Rot. Bonds2

About (1-ethylcyclopropyl)-(4-methylpiperazin-1-yl)methanone

(1-ethylcyclopropyl)-(4-methylpiperazin-1-yl)methanone (PubChem CID 130161826) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is (1-ethylcyclopropyl)-(4-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(1-ethylcyclopropyl)-(4-methylpiperazin-1-yl)methanone
PubChem CID130161826
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Name(1-ethylcyclopropyl)-(4-methylpiperazin-1-yl)methanone
SMILESCCC1(C(=O)N2CCN(C)CC2)CC1
InChIInChI=1S/C11H20N2O/c1-3-11(4-5-11)10(14)13-8-6-12(2)7-9-13/h3-9H2,1-2H3
InChIKeyZQCAPODODODEHK-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 (1-ethylcyclopropyl)-(4-methylpiperazin-1-yl)methanone?
The IUPAC name of (1-ethylcyclopropyl)-(4-methylpiperazin-1-yl)methanone (CID 130161826) is (1-ethylcyclopropyl)-(4-methylpiperazin-1-yl)methanone.
What is the SMILES notation for (1-ethylcyclopropyl)-(4-methylpiperazin-1-yl)methanone?
The canonical SMILES for (1-ethylcyclopropyl)-(4-methylpiperazin-1-yl)methanone is CCC1(C(=O)N2CCN(C)CC2)CC1.
What is the InChIKey of (1-ethylcyclopropyl)-(4-methylpiperazin-1-yl)methanone?
The InChIKey is ZQCAPODODODEHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O/c1-3-11(4-5-11)10(14)13-8-6-12(2)7-9-13/h3-9H2,1-2H3.
What are the key properties of (1-ethylcyclopropyl)-(4-methylpiperazin-1-yl)methanone?
(1-ethylcyclopropyl)-(4-methylpiperazin-1-yl)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 (1-ethylcyclopropyl)-(4-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 130161826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).