4-[3-(2-methylpropoxy)benzoyl]piperazin-2-one

C15H20N2O3 — CID 60645920

IUPAC4-[3-(2-methylpropoxy)benzoyl]piperazin-2-one
SMILESCC(C)COc1cccc(C(=O)N2CCNC(=O)C2)c1
InChIInChI=1S/C15H20N2O3/c1-11(2)10-20-13-5-3-4-12(8-13)15(19)17-7-6-16-14(18)9-17/h3-5,8,11H,6-7,9-10H2,1-2H3,(H,16,18)
InChIKeyPYIBXHMVYNSDLE-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.29
Rot. Bonds4

About 4-[3-(2-methylpropoxy)benzoyl]piperazin-2-one

4-[3-(2-methylpropoxy)benzoyl]piperazin-2-one (PubChem CID 60645920) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 4-[3-(2-methylpropoxy)benzoyl]piperazin-2-one.

Molecular Properties

Compound Name4-[3-(2-methylpropoxy)benzoyl]piperazin-2-one
PubChem CID60645920
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name4-[3-(2-methylpropoxy)benzoyl]piperazin-2-one
SMILESCC(C)COc1cccc(C(=O)N2CCNC(=O)C2)c1
InChIInChI=1S/C15H20N2O3/c1-11(2)10-20-13-5-3-4-12(8-13)15(19)17-7-6-16-14(18)9-17/h3-5,8,11H,6-7,9-10H2,1-2H3,(H,16,18)
InChIKeyPYIBXHMVYNSDLE-UHFFFAOYSA-N
XLogP1.29
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(2-methylpropoxy)phenyl]-piperazin-1-ylmethanone;hydrochloride
CID 119401618
4-(3-iodobenzoyl)piperazin-2-one
CID 10381947
[(3S)-3-aminopyrrolidin-1-yl]-[3-(2-methylpropoxy)phenyl]methanone
CID 124682177
[4-(1-aminoethyl)piperidin-1-yl]-[3-(2-methylpropoxy)phenyl]methanone
CID 119518490
methyl 1-[3-(2-methylpropoxy)benzoyl]piperidine-4-carboxylate
CID 108731428
[4-(3-methoxyphenyl)piperazin-1-yl]-[3-(2-methylpropoxy)phenyl]methanone
CID 31911957
3-(3-oxopiperazine-1-carbonyl)benzaldehyde
CID 90105088
[4-(3-aminopropyl)piperazin-1-yl]-[3-(2-methylpropoxy)phenyl]methanone
CID 54852636
azepan-1-yl-[1-[3-(2-methylpropoxy)benzoyl]piperidin-4-yl]methanone
CID 134029931
(3S,4S)-4-methyl-1-[3-(2-methylpropoxy)benzoyl]pyrrolidine-3-carboxylic acid
CID 120952417
(2-methylpiperazin-1-yl)-[3-(2-methylpropoxy)phenyl]methanone;hydrochloride
CID 119471460
6-[3-(2-methylpropoxy)benzoyl]-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119174556

Frequently Asked Questions

What is the IUPAC name of 4-[3-(2-methylpropoxy)benzoyl]piperazin-2-one?
The IUPAC name of 4-[3-(2-methylpropoxy)benzoyl]piperazin-2-one (CID 60645920) is 4-[3-(2-methylpropoxy)benzoyl]piperazin-2-one.
What is the SMILES notation for 4-[3-(2-methylpropoxy)benzoyl]piperazin-2-one?
The canonical SMILES for 4-[3-(2-methylpropoxy)benzoyl]piperazin-2-one is CC(C)COc1cccc(C(=O)N2CCNC(=O)C2)c1.
What is the InChIKey of 4-[3-(2-methylpropoxy)benzoyl]piperazin-2-one?
The InChIKey is PYIBXHMVYNSDLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-11(2)10-20-13-5-3-4-12(8-13)15(19)17-7-6-16-14(18)9-17/h3-5,8,11H,6-7,9-10H2,1-2H3,(H,16,18).
What are the key properties of 4-[3-(2-methylpropoxy)benzoyl]piperazin-2-one?
4-[3-(2-methylpropoxy)benzoyl]piperazin-2-one has a molecular weight of 276.34 g/mol, XLogP of 1.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2-methylpropoxy)benzoyl]piperazin-2-one is sourced from PubChem (CID 60645920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).