1-methyl-4-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]piperazin-2-one

C13H24N2O2 — CID 170420198

IUPAC1-methyl-4-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]piperazin-2-one
SMILESCC(C)OCC1(CN2CCN(C)C(=O)C2)CC1
InChIInChI=1S/C13H24N2O2/c1-11(2)17-10-13(4-5-13)9-15-7-6-14(3)12(16)8-15/h11H,4-10H2,1-3H3
InChIKeyKWMYCLLHSIJDNO-UHFFFAOYSA-N
MW240.35 g/mol
LogP0.97
Rot. Bonds5

About 1-methyl-4-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]piperazin-2-one

1-methyl-4-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]piperazin-2-one (PubChem CID 170420198) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 1-methyl-4-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]piperazin-2-one.

Molecular Properties

Compound Name1-methyl-4-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]piperazin-2-one
PubChem CID170420198
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name1-methyl-4-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]piperazin-2-one
SMILESCC(C)OCC1(CN2CCN(C)C(=O)C2)CC1
InChIInChI=1S/C13H24N2O2/c1-11(2)17-10-13(4-5-13)9-15-7-6-14(3)12(16)8-15/h11H,4-10H2,1-3H3
InChIKeyKWMYCLLHSIJDNO-UHFFFAOYSA-N
XLogP0.97
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]piperazin-2-one?
The IUPAC name of 1-methyl-4-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]piperazin-2-one (CID 170420198) is 1-methyl-4-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]piperazin-2-one.
What is the SMILES notation for 1-methyl-4-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]piperazin-2-one?
The canonical SMILES for 1-methyl-4-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]piperazin-2-one is CC(C)OCC1(CN2CCN(C)C(=O)C2)CC1.
What is the InChIKey of 1-methyl-4-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]piperazin-2-one?
The InChIKey is KWMYCLLHSIJDNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-11(2)17-10-13(4-5-13)9-15-7-6-14(3)12(16)8-15/h11H,4-10H2,1-3H3.
What are the key properties of 1-methyl-4-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]piperazin-2-one?
1-methyl-4-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]piperazin-2-one has a molecular weight of 240.35 g/mol, XLogP of 0.97, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]piperazin-2-one is sourced from PubChem (CID 170420198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).