1-cyclopropyl-2-piperazin-1-ylethanone

C9H16N2O — CID 2758012

IUPAC1-cyclopropyl-2-piperazin-1-ylethanone
SMILESO=C(CN1CCNCC1)C1CC1
InChIInChI=1S/C9H16N2O/c12-9(8-1-2-8)7-11-5-3-10-4-6-11/h8,10H,1-7H2
InChIKeyKNOLOEMYAQRUET-UHFFFAOYSA-N
MW168.24 g/mol
LogP-0.13
Rot. Bonds3

About 1-cyclopropyl-2-piperazin-1-ylethanone

1-cyclopropyl-2-piperazin-1-ylethanone (PubChem CID 2758012) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is 1-cyclopropyl-2-piperazin-1-ylethanone.

Molecular Properties

Compound Name1-cyclopropyl-2-piperazin-1-ylethanone
PubChem CID2758012
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC Name1-cyclopropyl-2-piperazin-1-ylethanone
SMILESO=C(CN1CCNCC1)C1CC1
InChIInChI=1S/C9H16N2O/c12-9(8-1-2-8)7-11-5-3-10-4-6-11/h8,10H,1-7H2
InChIKeyKNOLOEMYAQRUET-UHFFFAOYSA-N
XLogP-0.13
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 5-0.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-piperazin-1-ylethanone?
The IUPAC name of 1-cyclopropyl-2-piperazin-1-ylethanone (CID 2758012) is 1-cyclopropyl-2-piperazin-1-ylethanone.
What is the SMILES notation for 1-cyclopropyl-2-piperazin-1-ylethanone?
The canonical SMILES for 1-cyclopropyl-2-piperazin-1-ylethanone is O=C(CN1CCNCC1)C1CC1.
What is the InChIKey of 1-cyclopropyl-2-piperazin-1-ylethanone?
The InChIKey is KNOLOEMYAQRUET-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O/c12-9(8-1-2-8)7-11-5-3-10-4-6-11/h8,10H,1-7H2.
What are the key properties of 1-cyclopropyl-2-piperazin-1-ylethanone?
1-cyclopropyl-2-piperazin-1-ylethanone has a molecular weight of 168.24 g/mol, XLogP of -0.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-piperazin-1-ylethanone is sourced from PubChem (CID 2758012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).