1-(2-methoxyphenyl)-3-methyl-3-piperazin-1-ylbutan-2-one

C16H24N2O2 — CID 116599315

IUPAC1-(2-methoxyphenyl)-3-methyl-3-piperazin-1-ylbutan-2-one
SMILESCOc1ccccc1CC(=O)C(C)(C)N1CCNCC1
InChIInChI=1S/C16H24N2O2/c1-16(2,18-10-8-17-9-11-18)15(19)12-13-6-4-5-7-14(13)20-3/h4-7,17H,8-12H2,1-3H3
InChIKeyODTQDHHPPXHJRF-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.49
Rot. Bonds5

About 1-(2-methoxyphenyl)-3-methyl-3-piperazin-1-ylbutan-2-one

1-(2-methoxyphenyl)-3-methyl-3-piperazin-1-ylbutan-2-one (PubChem CID 116599315) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-3-methyl-3-piperazin-1-ylbutan-2-one.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-3-methyl-3-piperazin-1-ylbutan-2-one
PubChem CID116599315
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name1-(2-methoxyphenyl)-3-methyl-3-piperazin-1-ylbutan-2-one
SMILESCOc1ccccc1CC(=O)C(C)(C)N1CCNCC1
InChIInChI=1S/C16H24N2O2/c1-16(2,18-10-8-17-9-11-18)15(19)12-13-6-4-5-7-14(13)20-3/h4-7,17H,8-12H2,1-3H3
InChIKeyODTQDHHPPXHJRF-UHFFFAOYSA-N
XLogP1.49
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-methoxyphenyl)-2-methyl-2-piperazin-1-ylpropanamide
CID 60996901
1-(2,6-dimethylphenyl)-3-methyl-3-piperazin-1-ylbutan-2-one
CID 116599184
1-(2-bromo-4-fluorophenyl)-3-methyl-3-piperazin-1-ylbutan-2-one
CID 116599131
1-(2-fluoro-3-methoxyphenyl)-2-methyl-2-piperazin-1-ylpropan-1-one
CID 116599250
2-(1,4-diazepan-1-yl)-3-(2-methoxyphenyl)-2-methylpropanenitrile
CID 61005584
4-amino-1-(2-methoxyphenyl)-3,3,4-trimethylpentan-2-one
CID 116573767
1-(2,5-dichlorophenyl)-3-methyl-3-piperazin-1-ylbutan-2-one
CID 116599238
1-(1,4-diazepan-1-yl)-3-(2-methoxyphenyl)propan-1-one
CID 82090865
N-[2-(2-methoxyphenyl)ethyl]piperazine-1-carboxamide
CID 82091281
1-(3-chlorophenyl)-3-methyl-3-piperazin-1-ylbutan-2-one
CID 116599192
1-[2-(2-methoxyphenyl)ethyl]piperazine;dihydrochloride
CID 52983547
N-[(2-methoxyphenyl)methyl]-N-methyl-2-piperazin-1-ylethanamine
CID 54983695

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-3-methyl-3-piperazin-1-ylbutan-2-one?
The IUPAC name of 1-(2-methoxyphenyl)-3-methyl-3-piperazin-1-ylbutan-2-one (CID 116599315) is 1-(2-methoxyphenyl)-3-methyl-3-piperazin-1-ylbutan-2-one.
What is the SMILES notation for 1-(2-methoxyphenyl)-3-methyl-3-piperazin-1-ylbutan-2-one?
The canonical SMILES for 1-(2-methoxyphenyl)-3-methyl-3-piperazin-1-ylbutan-2-one is COc1ccccc1CC(=O)C(C)(C)N1CCNCC1.
What is the InChIKey of 1-(2-methoxyphenyl)-3-methyl-3-piperazin-1-ylbutan-2-one?
The InChIKey is ODTQDHHPPXHJRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-16(2,18-10-8-17-9-11-18)15(19)12-13-6-4-5-7-14(13)20-3/h4-7,17H,8-12H2,1-3H3.
What are the key properties of 1-(2-methoxyphenyl)-3-methyl-3-piperazin-1-ylbutan-2-one?
1-(2-methoxyphenyl)-3-methyl-3-piperazin-1-ylbutan-2-one has a molecular weight of 276.38 g/mol, XLogP of 1.49, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-3-methyl-3-piperazin-1-ylbutan-2-one is sourced from PubChem (CID 116599315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).