4-(2-propan-2-yloxyethyl)-1-propylpiperazin-2-one

C12H24N2O2 — CID 175634217

IUPAC4-(2-propan-2-yloxyethyl)-1-propylpiperazin-2-one
SMILESCCCN1CCN(CCOC(C)C)CC1=O
InChIInChI=1S/C12H24N2O2/c1-4-5-14-7-6-13(10-12(14)15)8-9-16-11(2)3/h11H,4-10H2,1-3H3
InChIKeyNWEGJLCXPBXKIA-UHFFFAOYSA-N
MW228.34 g/mol
LogP0.97
Rot. Bonds6

About 4-(2-propan-2-yloxyethyl)-1-propylpiperazin-2-one

4-(2-propan-2-yloxyethyl)-1-propylpiperazin-2-one (PubChem CID 175634217) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 4-(2-propan-2-yloxyethyl)-1-propylpiperazin-2-one.

Molecular Properties

Compound Name4-(2-propan-2-yloxyethyl)-1-propylpiperazin-2-one
PubChem CID175634217
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name4-(2-propan-2-yloxyethyl)-1-propylpiperazin-2-one
SMILESCCCN1CCN(CCOC(C)C)CC1=O
InChIInChI=1S/C12H24N2O2/c1-4-5-14-7-6-13(10-12(14)15)8-9-16-11(2)3/h11H,4-10H2,1-3H3
InChIKeyNWEGJLCXPBXKIA-UHFFFAOYSA-N
XLogP0.97
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-propan-2-yloxyethyl)-1-propylpiperazin-2-one?
The IUPAC name of 4-(2-propan-2-yloxyethyl)-1-propylpiperazin-2-one (CID 175634217) is 4-(2-propan-2-yloxyethyl)-1-propylpiperazin-2-one.
What is the SMILES notation for 4-(2-propan-2-yloxyethyl)-1-propylpiperazin-2-one?
The canonical SMILES for 4-(2-propan-2-yloxyethyl)-1-propylpiperazin-2-one is CCCN1CCN(CCOC(C)C)CC1=O.
What is the InChIKey of 4-(2-propan-2-yloxyethyl)-1-propylpiperazin-2-one?
The InChIKey is NWEGJLCXPBXKIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-4-5-14-7-6-13(10-12(14)15)8-9-16-11(2)3/h11H,4-10H2,1-3H3.
What are the key properties of 4-(2-propan-2-yloxyethyl)-1-propylpiperazin-2-one?
4-(2-propan-2-yloxyethyl)-1-propylpiperazin-2-one has a molecular weight of 228.34 g/mol, XLogP of 0.97, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-propan-2-yloxyethyl)-1-propylpiperazin-2-one is sourced from PubChem (CID 175634217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).