(1,2-dimethylcyclopropyl)-[4-(2-methoxyethyl)piperazin-1-yl]methanone

C13H24N2O2 — CID 163729372

IUPAC(1,2-dimethylcyclopropyl)-[4-(2-methoxyethyl)piperazin-1-yl]methanone
SMILESCOCCN1CCN(C(=O)C2(C)CC2C)CC1
InChIInChI=1S/C13H24N2O2/c1-11-10-13(11,2)12(16)15-6-4-14(5-7-15)8-9-17-3/h11H,4-10H2,1-3H3
InChIKeyKYGUPWALDVTUFL-UHFFFAOYSA-N
MW240.35 g/mol
LogP0.82
Rot. Bonds4

About (1,2-dimethylcyclopropyl)-[4-(2-methoxyethyl)piperazin-1-yl]methanone

(1,2-dimethylcyclopropyl)-[4-(2-methoxyethyl)piperazin-1-yl]methanone (PubChem CID 163729372) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is (1,2-dimethylcyclopropyl)-[4-(2-methoxyethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(1,2-dimethylcyclopropyl)-[4-(2-methoxyethyl)piperazin-1-yl]methanone
PubChem CID163729372
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name(1,2-dimethylcyclopropyl)-[4-(2-methoxyethyl)piperazin-1-yl]methanone
SMILESCOCCN1CCN(C(=O)C2(C)CC2C)CC1
InChIInChI=1S/C13H24N2O2/c1-11-10-13(11,2)12(16)15-6-4-14(5-7-15)8-9-17-3/h11H,4-10H2,1-3H3
InChIKeyKYGUPWALDVTUFL-UHFFFAOYSA-N
XLogP0.82
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 50.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1,2-dimethylcyclopropyl)-[4-(2-methoxyethyl)piperazin-1-yl]methanone?
The IUPAC name of (1,2-dimethylcyclopropyl)-[4-(2-methoxyethyl)piperazin-1-yl]methanone (CID 163729372) is (1,2-dimethylcyclopropyl)-[4-(2-methoxyethyl)piperazin-1-yl]methanone.
What is the SMILES notation for (1,2-dimethylcyclopropyl)-[4-(2-methoxyethyl)piperazin-1-yl]methanone?
The canonical SMILES for (1,2-dimethylcyclopropyl)-[4-(2-methoxyethyl)piperazin-1-yl]methanone is COCCN1CCN(C(=O)C2(C)CC2C)CC1.
What is the InChIKey of (1,2-dimethylcyclopropyl)-[4-(2-methoxyethyl)piperazin-1-yl]methanone?
The InChIKey is KYGUPWALDVTUFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-11-10-13(11,2)12(16)15-6-4-14(5-7-15)8-9-17-3/h11H,4-10H2,1-3H3.
What are the key properties of (1,2-dimethylcyclopropyl)-[4-(2-methoxyethyl)piperazin-1-yl]methanone?
(1,2-dimethylcyclopropyl)-[4-(2-methoxyethyl)piperazin-1-yl]methanone has a molecular weight of 240.35 g/mol, XLogP of 0.82, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1,2-dimethylcyclopropyl)-[4-(2-methoxyethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 163729372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).