1-[4-(3-methoxyphenyl)piperazin-1-yl]-3-methylbutan-1-one

C16H24N2O2 — CID 78768997

IUPAC1-[4-(3-methoxyphenyl)piperazin-1-yl]-3-methylbutan-1-one
SMILESCOc1cccc(N2CCN(C(=O)CC(C)C)CC2)c1
InChIInChI=1S/C16H24N2O2/c1-13(2)11-16(19)18-9-7-17(8-10-18)14-5-4-6-15(12-14)20-3/h4-6,12-13H,7-11H2,1-3H3
InChIKeyQDFISVZSGJNAPE-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.39
Rot. Bonds4

About 1-[4-(3-methoxyphenyl)piperazin-1-yl]-3-methylbutan-1-one

1-[4-(3-methoxyphenyl)piperazin-1-yl]-3-methylbutan-1-one (PubChem CID 78768997) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 1-[4-(3-methoxyphenyl)piperazin-1-yl]-3-methylbutan-1-one.

Molecular Properties

Compound Name1-[4-(3-methoxyphenyl)piperazin-1-yl]-3-methylbutan-1-one
PubChem CID78768997
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name1-[4-(3-methoxyphenyl)piperazin-1-yl]-3-methylbutan-1-one
SMILESCOc1cccc(N2CCN(C(=O)CC(C)C)CC2)c1
InChIInChI=1S/C16H24N2O2/c1-13(2)11-16(19)18-9-7-17(8-10-18)14-5-4-6-15(12-14)20-3/h4-6,12-13H,7-11H2,1-3H3
InChIKeyQDFISVZSGJNAPE-UHFFFAOYSA-N
XLogP2.39
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-1-[4-(3-methoxyphenyl)piperazin-1-yl]butan-1-one
CID 60835678
1-[4-(3-fluorophenyl)piperazin-1-yl]-3-methylbutan-1-one
CID 110869101
2-(3-methoxyphenyl)-1-[4-(3-methoxyphenyl)piperazin-1-yl]ethanone
CID 9372538
1-[4-(3-methoxyphenyl)piperazin-1-yl]-3-phenyl-3-pyrrol-1-ylpropan-1-one
CID 46343081
3-methyl-1-[4-(3-propanoylphenyl)piperazin-1-yl]butan-1-one
CID 166101353
2-(cyclopropylmethylamino)-1-[4-(3-methoxyphenyl)piperazin-1-yl]ethanone;dihydrochloride
CID 119829431
4-(3-methoxyphenyl)-N-(3-methylbutyl)piperazine-1-carboxamide
CID 86912572
4-[4-(3-methoxyphenyl)piperazin-1-yl]pentan-2-one
CID 64696870
(3R)-1-[4-(3-methoxyphenyl)piperazin-1-yl]-3-(4-methylphenyl)-3-pyrrol-1-ylpropan-1-one
CID 92709296
3-(4-methoxyphenoxy)-1-[4-(3-methoxyphenyl)piperazin-1-yl]propan-1-one
CID 8001578
2-(2-methoxyethylamino)-1-[4-(3-methoxyphenyl)piperazin-1-yl]ethanone;dihydrochloride
CID 119829459
4-amino-1-[4-(3-methoxyphenyl)piperazin-1-yl]-2-methylbutan-1-one
CID 80542376

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-methoxyphenyl)piperazin-1-yl]-3-methylbutan-1-one?
The IUPAC name of 1-[4-(3-methoxyphenyl)piperazin-1-yl]-3-methylbutan-1-one (CID 78768997) is 1-[4-(3-methoxyphenyl)piperazin-1-yl]-3-methylbutan-1-one.
What is the SMILES notation for 1-[4-(3-methoxyphenyl)piperazin-1-yl]-3-methylbutan-1-one?
The canonical SMILES for 1-[4-(3-methoxyphenyl)piperazin-1-yl]-3-methylbutan-1-one is COc1cccc(N2CCN(C(=O)CC(C)C)CC2)c1.
What is the InChIKey of 1-[4-(3-methoxyphenyl)piperazin-1-yl]-3-methylbutan-1-one?
The InChIKey is QDFISVZSGJNAPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-13(2)11-16(19)18-9-7-17(8-10-18)14-5-4-6-15(12-14)20-3/h4-6,12-13H,7-11H2,1-3H3.
What are the key properties of 1-[4-(3-methoxyphenyl)piperazin-1-yl]-3-methylbutan-1-one?
1-[4-(3-methoxyphenyl)piperazin-1-yl]-3-methylbutan-1-one has a molecular weight of 276.38 g/mol, XLogP of 2.39, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-methoxyphenyl)piperazin-1-yl]-3-methylbutan-1-one is sourced from PubChem (CID 78768997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).