(3-cyclopropyl-1-methylaziridin-2-yl)-piperazin-1-ylmethanone

C11H19N3O — CID 177002494

IUPAC(3-cyclopropyl-1-methylaziridin-2-yl)-piperazin-1-ylmethanone
SMILESCN1C(C(=O)N2CCNCC2)C1C1CC1
InChIInChI=1S/C11H19N3O/c1-13-9(8-2-3-8)10(13)11(15)14-6-4-12-5-7-14/h8-10,12H,2-7H2,1H3
InChIKeyAPFFZYGCRASJOU-UHFFFAOYSA-N
MW209.29 g/mol
LogP-0.49
Rot. Bonds2

About (3-cyclopropyl-1-methylaziridin-2-yl)-piperazin-1-ylmethanone

(3-cyclopropyl-1-methylaziridin-2-yl)-piperazin-1-ylmethanone (PubChem CID 177002494) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is (3-cyclopropyl-1-methylaziridin-2-yl)-piperazin-1-ylmethanone.

Molecular Properties

Compound Name(3-cyclopropyl-1-methylaziridin-2-yl)-piperazin-1-ylmethanone
PubChem CID177002494
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name(3-cyclopropyl-1-methylaziridin-2-yl)-piperazin-1-ylmethanone
SMILESCN1C(C(=O)N2CCNCC2)C1C1CC1
InChIInChI=1S/C11H19N3O/c1-13-9(8-2-3-8)10(13)11(15)14-6-4-12-5-7-14/h8-10,12H,2-7H2,1H3
InChIKeyAPFFZYGCRASJOU-UHFFFAOYSA-N
XLogP-0.49
TPSA35.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 5-0.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3-cyclopropyl-1-methylaziridin-2-yl)-piperazin-1-ylmethanone?
The IUPAC name of (3-cyclopropyl-1-methylaziridin-2-yl)-piperazin-1-ylmethanone (CID 177002494) is (3-cyclopropyl-1-methylaziridin-2-yl)-piperazin-1-ylmethanone.
What is the SMILES notation for (3-cyclopropyl-1-methylaziridin-2-yl)-piperazin-1-ylmethanone?
The canonical SMILES for (3-cyclopropyl-1-methylaziridin-2-yl)-piperazin-1-ylmethanone is CN1C(C(=O)N2CCNCC2)C1C1CC1.
What is the InChIKey of (3-cyclopropyl-1-methylaziridin-2-yl)-piperazin-1-ylmethanone?
The InChIKey is APFFZYGCRASJOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-13-9(8-2-3-8)10(13)11(15)14-6-4-12-5-7-14/h8-10,12H,2-7H2,1H3.
What are the key properties of (3-cyclopropyl-1-methylaziridin-2-yl)-piperazin-1-ylmethanone?
(3-cyclopropyl-1-methylaziridin-2-yl)-piperazin-1-ylmethanone has a molecular weight of 209.29 g/mol, XLogP of -0.49, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-cyclopropyl-1-methylaziridin-2-yl)-piperazin-1-ylmethanone is sourced from PubChem (CID 177002494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).