(1-methoxycyclopropyl)-(2-propan-2-ylpiperazin-1-yl)methanone

C12H22N2O2 — CID 177202758

IUPAC(1-methoxycyclopropyl)-(2-propan-2-ylpiperazin-1-yl)methanone
SMILESCOC1(C(=O)N2CCNCC2C(C)C)CC1
InChIInChI=1S/C12H22N2O2/c1-9(2)10-8-13-6-7-14(10)11(15)12(16-3)4-5-12/h9-10,13H,4-8H2,1-3H3
InChIKeyJGGJYSLQIXOSNZ-UHFFFAOYSA-N
MW226.32 g/mol
LogP0.62
Rot. Bonds3

About (1-methoxycyclopropyl)-(2-propan-2-ylpiperazin-1-yl)methanone

(1-methoxycyclopropyl)-(2-propan-2-ylpiperazin-1-yl)methanone (PubChem CID 177202758) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is (1-methoxycyclopropyl)-(2-propan-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(1-methoxycyclopropyl)-(2-propan-2-ylpiperazin-1-yl)methanone
PubChem CID177202758
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name(1-methoxycyclopropyl)-(2-propan-2-ylpiperazin-1-yl)methanone
SMILESCOC1(C(=O)N2CCNCC2C(C)C)CC1
InChIInChI=1S/C12H22N2O2/c1-9(2)10-8-13-6-7-14(10)11(15)12(16-3)4-5-12/h9-10,13H,4-8H2,1-3H3
InChIKeyJGGJYSLQIXOSNZ-UHFFFAOYSA-N
XLogP0.62
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (1-methoxycyclopropyl)-(2-propan-2-ylpiperazin-1-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1-methoxycyclopropyl)-(2-propan-2-ylpiperazin-1-yl)methanone?
The IUPAC name of (1-methoxycyclopropyl)-(2-propan-2-ylpiperazin-1-yl)methanone (CID 177202758) is (1-methoxycyclopropyl)-(2-propan-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for (1-methoxycyclopropyl)-(2-propan-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for (1-methoxycyclopropyl)-(2-propan-2-ylpiperazin-1-yl)methanone is COC1(C(=O)N2CCNCC2C(C)C)CC1.
What is the InChIKey of (1-methoxycyclopropyl)-(2-propan-2-ylpiperazin-1-yl)methanone?
The InChIKey is JGGJYSLQIXOSNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-9(2)10-8-13-6-7-14(10)11(15)12(16-3)4-5-12/h9-10,13H,4-8H2,1-3H3.
What are the key properties of (1-methoxycyclopropyl)-(2-propan-2-ylpiperazin-1-yl)methanone?
(1-methoxycyclopropyl)-(2-propan-2-ylpiperazin-1-yl)methanone has a molecular weight of 226.32 g/mol, XLogP of 0.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methoxycyclopropyl)-(2-propan-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 177202758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).