4-[4-(3-methoxyphenyl)piperazin-1-yl]pentan-2-one

C16H24N2O2 — CID 64696870

IUPAC4-[4-(3-methoxyphenyl)piperazin-1-yl]pentan-2-one
SMILESCOc1cccc(N2CCN(C(C)CC(C)=O)CC2)c1
InChIInChI=1S/C16H24N2O2/c1-13(11-14(2)19)17-7-9-18(10-8-17)15-5-4-6-16(12-15)20-3/h4-6,12-13H,7-11H2,1-3H3
InChIKeyZAAZYGAPNGIIRN-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.18
Rot. Bonds5

About 4-[4-(3-methoxyphenyl)piperazin-1-yl]pentan-2-one

4-[4-(3-methoxyphenyl)piperazin-1-yl]pentan-2-one (PubChem CID 64696870) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 4-[4-(3-methoxyphenyl)piperazin-1-yl]pentan-2-one.

Molecular Properties

Compound Name4-[4-(3-methoxyphenyl)piperazin-1-yl]pentan-2-one
PubChem CID64696870
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name4-[4-(3-methoxyphenyl)piperazin-1-yl]pentan-2-one
SMILESCOc1cccc(N2CCN(C(C)CC(C)=O)CC2)c1
InChIInChI=1S/C16H24N2O2/c1-13(11-14(2)19)17-7-9-18(10-8-17)15-5-4-6-16(12-15)20-3/h4-6,12-13H,7-11H2,1-3H3
InChIKeyZAAZYGAPNGIIRN-UHFFFAOYSA-N
XLogP2.18
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(3-methoxyphenyl)piperazin-1-yl]-3-methylbutan-1-one
CID 78768997
N-ethyl-3-[4-(3-methoxyphenyl)piperazin-1-yl]butan-1-amine
CID 62418996
3-amino-1-[4-(3-methoxyphenyl)piperazin-1-yl]butan-1-one
CID 60835678
propan-2-yl 2-[4-(3-methoxyphenyl)piperazin-1-yl]acetate
CID 60690618
2-[4-(3-methoxyphenyl)piperazin-1-yl]-N-prop-2-enylpropan-1-amine
CID 62557485
(2S)-2-[4-(3-methoxyphenyl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)propanamide
CID 95899369
1-iodo-4-(3-methoxyphenyl)piperazine
CID 142256394
4-[4-(3-methoxyphenyl)piperazin-1-yl]-3,3-dimethylbutan-2-one
CID 66455314
N-butan-2-yl-2-[4-(3-methoxyphenyl)piperazin-1-yl]acetamide
CID 17401834
4-amino-1-[4-(3-methoxyphenyl)piperazin-1-yl]-2-methylbutan-1-one
CID 80542376
2-[4-(3-methoxyphenyl)piperazin-1-yl]-N-[(4-methylphenyl)methyl]propanamide
CID 46561331
(2R)-1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-[4-(3-methoxyphenyl)piperazin-1-yl]propan-1-one
CID 9116613

Frequently Asked Questions

What is the IUPAC name of 4-[4-(3-methoxyphenyl)piperazin-1-yl]pentan-2-one?
The IUPAC name of 4-[4-(3-methoxyphenyl)piperazin-1-yl]pentan-2-one (CID 64696870) is 4-[4-(3-methoxyphenyl)piperazin-1-yl]pentan-2-one.
What is the SMILES notation for 4-[4-(3-methoxyphenyl)piperazin-1-yl]pentan-2-one?
The canonical SMILES for 4-[4-(3-methoxyphenyl)piperazin-1-yl]pentan-2-one is COc1cccc(N2CCN(C(C)CC(C)=O)CC2)c1.
What is the InChIKey of 4-[4-(3-methoxyphenyl)piperazin-1-yl]pentan-2-one?
The InChIKey is ZAAZYGAPNGIIRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-13(11-14(2)19)17-7-9-18(10-8-17)15-5-4-6-16(12-15)20-3/h4-6,12-13H,7-11H2,1-3H3.
What are the key properties of 4-[4-(3-methoxyphenyl)piperazin-1-yl]pentan-2-one?
4-[4-(3-methoxyphenyl)piperazin-1-yl]pentan-2-one has a molecular weight of 276.38 g/mol, XLogP of 2.18, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(3-methoxyphenyl)piperazin-1-yl]pentan-2-one is sourced from PubChem (CID 64696870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).