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

C18H28N4O2 — CID 120982247

IUPAC3-[4-(2-methoxyphenyl)piperazin-1-yl]-1-piperazin-1-ylpropan-1-one
SMILESCOc1ccccc1N1CCN(CCC(=O)N2CCNCC2)CC1
InChIInChI=1S/C18H28N4O2/c1-24-17-5-3-2-4-16(17)21-14-12-20(13-15-21)9-6-18(23)22-10-7-19-8-11-22/h2-5,19H,6-15H2,1H3
InChIKeyLHBVJZZTZYOQMT-UHFFFAOYSA-N
MW332.45 g/mol
LogP0.64
Rot. Bonds5

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

3-[4-(2-methoxyphenyl)piperazin-1-yl]-1-piperazin-1-ylpropan-1-one (PubChem CID 120982247) has the molecular formula C18H28N4O2 and a molecular weight of 332.45 g/mol. Its IUPAC name is 3-[4-(2-methoxyphenyl)piperazin-1-yl]-1-piperazin-1-ylpropan-1-one.

Molecular Properties

Compound Name3-[4-(2-methoxyphenyl)piperazin-1-yl]-1-piperazin-1-ylpropan-1-one
PubChem CID120982247
Molecular FormulaC18H28N4O2
Molecular Weight332.45 g/mol
Exact Mass332.22
IUPAC Name3-[4-(2-methoxyphenyl)piperazin-1-yl]-1-piperazin-1-ylpropan-1-one
SMILESCOc1ccccc1N1CCN(CCC(=O)N2CCNCC2)CC1
InChIInChI=1S/C18H28N4O2/c1-24-17-5-3-2-4-16(17)21-14-12-20(13-15-21)9-6-18(23)22-10-7-19-8-11-22/h2-5,19H,6-15H2,1H3
InChIKeyLHBVJZZTZYOQMT-UHFFFAOYSA-N
XLogP0.64
TPSA48.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-pyrrolidin-1-ylpropan-1-one
CID 110688170
3-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide
CID 10849160
1-(3,4-dihydro-2H-quinolin-1-yl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-one
CID 56690048
propan-2-yl 3-[4-(2-methoxyphenyl)piperazin-1-yl]propanoate
CID 110186525
1-[4-(2-methoxyphenyl)piperazin-1-yl]octadecan-1-one
CID 156635306
1-(4-fluorophenyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]butane-1,4-dione
CID 9335653
2-[4-(2-methoxyphenyl)piperazin-1-yl]ethanol;dihydrochloride
CID 71671571
1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-(2-morpholin-4-ylethylamino)propan-1-one
CID 109016734
1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-pyrrolidin-1-ylpropane-1,3-dione
CID 108941985
N-(2-methoxyphenyl)-1-(3-oxo-3-piperazin-1-ylpropyl)piperidine-4-carboxamide;hydrochloride
CID 120981028
acetaldehyde;1-(2-methoxyphenyl)piperazine
CID 157082158
3-(2,6-dimethylanilino)-1-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-one
CID 109029461

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-methoxyphenyl)piperazin-1-yl]-1-piperazin-1-ylpropan-1-one?
The IUPAC name of 3-[4-(2-methoxyphenyl)piperazin-1-yl]-1-piperazin-1-ylpropan-1-one (CID 120982247) is 3-[4-(2-methoxyphenyl)piperazin-1-yl]-1-piperazin-1-ylpropan-1-one.
What is the SMILES notation for 3-[4-(2-methoxyphenyl)piperazin-1-yl]-1-piperazin-1-ylpropan-1-one?
The canonical SMILES for 3-[4-(2-methoxyphenyl)piperazin-1-yl]-1-piperazin-1-ylpropan-1-one is COc1ccccc1N1CCN(CCC(=O)N2CCNCC2)CC1.
What is the InChIKey of 3-[4-(2-methoxyphenyl)piperazin-1-yl]-1-piperazin-1-ylpropan-1-one?
The InChIKey is LHBVJZZTZYOQMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O2/c1-24-17-5-3-2-4-16(17)21-14-12-20(13-15-21)9-6-18(23)22-10-7-19-8-11-22/h2-5,19H,6-15H2,1H3.
What are the key properties of 3-[4-(2-methoxyphenyl)piperazin-1-yl]-1-piperazin-1-ylpropan-1-one?
3-[4-(2-methoxyphenyl)piperazin-1-yl]-1-piperazin-1-ylpropan-1-one has a molecular weight of 332.45 g/mol, XLogP of 0.64, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-methoxyphenyl)piperazin-1-yl]-1-piperazin-1-ylpropan-1-one is sourced from PubChem (CID 120982247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).