2-cyclopropyl-1-(4-methylpiperazin-1-yl)ethanone

C10H18N2O — CID 60753386

IUPAC2-cyclopropyl-1-(4-methylpiperazin-1-yl)ethanone
SMILESCN1CCN(C(=O)CC2CC2)CC1
InChIInChI=1S/C10H18N2O/c1-11-4-6-12(7-5-11)10(13)8-9-2-3-9/h9H,2-8H2,1H3
InChIKeyBJULNYULAOFGIQ-UHFFFAOYSA-N
MW182.27 g/mol
LogP0.56
Rot. Bonds2

About 2-cyclopropyl-1-(4-methylpiperazin-1-yl)ethanone

2-cyclopropyl-1-(4-methylpiperazin-1-yl)ethanone (PubChem CID 60753386) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is 2-cyclopropyl-1-(4-methylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-cyclopropyl-1-(4-methylpiperazin-1-yl)ethanone
PubChem CID60753386
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC Name2-cyclopropyl-1-(4-methylpiperazin-1-yl)ethanone
SMILESCN1CCN(C(=O)CC2CC2)CC1
InChIInChI=1S/C10H18N2O/c1-11-4-6-12(7-5-11)10(13)8-9-2-3-9/h9H,2-8H2,1H3
InChIKeyBJULNYULAOFGIQ-UHFFFAOYSA-N
XLogP0.56
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 50.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-1-(4-methylpiperazin-1-yl)ethanone?
The IUPAC name of 2-cyclopropyl-1-(4-methylpiperazin-1-yl)ethanone (CID 60753386) is 2-cyclopropyl-1-(4-methylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-cyclopropyl-1-(4-methylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-cyclopropyl-1-(4-methylpiperazin-1-yl)ethanone is CN1CCN(C(=O)CC2CC2)CC1.
What is the InChIKey of 2-cyclopropyl-1-(4-methylpiperazin-1-yl)ethanone?
The InChIKey is BJULNYULAOFGIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O/c1-11-4-6-12(7-5-11)10(13)8-9-2-3-9/h9H,2-8H2,1H3.
What are the key properties of 2-cyclopropyl-1-(4-methylpiperazin-1-yl)ethanone?
2-cyclopropyl-1-(4-methylpiperazin-1-yl)ethanone has a molecular weight of 182.27 g/mol, XLogP of 0.56, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-1-(4-methylpiperazin-1-yl)ethanone is sourced from PubChem (CID 60753386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).