3-(4-methylpiperazin-1-yl)-1-(4-phenylpiperazin-1-yl)propan-1-one

C18H28N4O — CID 110853147

IUPAC3-(4-methylpiperazin-1-yl)-1-(4-phenylpiperazin-1-yl)propan-1-one
SMILESCN1CCN(CCC(=O)N2CCN(c3ccccc3)CC2)CC1
InChIInChI=1S/C18H28N4O/c1-19-9-11-20(12-10-19)8-7-18(23)22-15-13-21(14-16-22)17-5-3-2-4-6-17/h2-6H,7-16H2,1H3
InChIKeyZGIJRBQBLQEOFK-UHFFFAOYSA-N
MW316.45 g/mol
LogP0.97
Rot. Bonds4

About 3-(4-methylpiperazin-1-yl)-1-(4-phenylpiperazin-1-yl)propan-1-one

3-(4-methylpiperazin-1-yl)-1-(4-phenylpiperazin-1-yl)propan-1-one (PubChem CID 110853147) has the molecular formula C18H28N4O and a molecular weight of 316.45 g/mol. Its IUPAC name is 3-(4-methylpiperazin-1-yl)-1-(4-phenylpiperazin-1-yl)propan-1-one.

Molecular Properties

Compound Name3-(4-methylpiperazin-1-yl)-1-(4-phenylpiperazin-1-yl)propan-1-one
PubChem CID110853147
Molecular FormulaC18H28N4O
Molecular Weight316.45 g/mol
Exact Mass316.23
IUPAC Name3-(4-methylpiperazin-1-yl)-1-(4-phenylpiperazin-1-yl)propan-1-one
SMILESCN1CCN(CCC(=O)N2CCN(c3ccccc3)CC2)CC1
InChIInChI=1S/C18H28N4O/c1-19-9-11-20(12-10-19)8-7-18(23)22-15-13-21(14-16-22)17-5-3-2-4-6-17/h2-6H,7-16H2,1H3
InChIKeyZGIJRBQBLQEOFK-UHFFFAOYSA-N
XLogP0.97
TPSA30.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.45
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-methylpiperazin-1-yl)-3-(4-phenylpiperazin-1-yl)propan-1-one
CID 109017216
1-[4-(4-fluorophenyl)piperazin-1-yl]-3-(4-methylpiperazin-1-yl)propan-1-one
CID 110853267
1-(1,4-diazepan-1-yl)-3-(4-phenylpiperazin-1-yl)propan-1-one
CID 119418032
1-(4-phenylpiperazin-1-yl)pentane-1,4-dione
CID 60636215
1,6-bis(4-phenylpiperazin-1-yl)hexane-1,6-dione
CID 2933488
3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1-(4-phenylpiperazin-1-yl)propan-1-one
CID 109027023
3-(4-methylpiperazin-1-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one
CID 110854951
3-(4-benzylpiperazin-1-yl)-1-[4-(3-chlorophenyl)piperazin-1-yl]propan-1-one
CID 155565209
(3S,4S)-1-[3-(4-phenylpiperazin-1-yl)propanoyl]-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 120950964
3-[4-(3-chlorophenyl)piperazin-1-yl]-1-(4-ethylpiperazin-1-yl)propan-1-one
CID 109017492
1-(4-acetylpiperazin-1-yl)-3-[4-(4-methoxyphenyl)piperazin-1-yl]propan-1-one
CID 109018165
1-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-3-(4-methylpiperazin-1-yl)propan-1-one
CID 46968893

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylpiperazin-1-yl)-1-(4-phenylpiperazin-1-yl)propan-1-one?
The IUPAC name of 3-(4-methylpiperazin-1-yl)-1-(4-phenylpiperazin-1-yl)propan-1-one (CID 110853147) is 3-(4-methylpiperazin-1-yl)-1-(4-phenylpiperazin-1-yl)propan-1-one.
What is the SMILES notation for 3-(4-methylpiperazin-1-yl)-1-(4-phenylpiperazin-1-yl)propan-1-one?
The canonical SMILES for 3-(4-methylpiperazin-1-yl)-1-(4-phenylpiperazin-1-yl)propan-1-one is CN1CCN(CCC(=O)N2CCN(c3ccccc3)CC2)CC1.
What is the InChIKey of 3-(4-methylpiperazin-1-yl)-1-(4-phenylpiperazin-1-yl)propan-1-one?
The InChIKey is ZGIJRBQBLQEOFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O/c1-19-9-11-20(12-10-19)8-7-18(23)22-15-13-21(14-16-22)17-5-3-2-4-6-17/h2-6H,7-16H2,1H3.
What are the key properties of 3-(4-methylpiperazin-1-yl)-1-(4-phenylpiperazin-1-yl)propan-1-one?
3-(4-methylpiperazin-1-yl)-1-(4-phenylpiperazin-1-yl)propan-1-one has a molecular weight of 316.45 g/mol, XLogP of 0.97, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylpiperazin-1-yl)-1-(4-phenylpiperazin-1-yl)propan-1-one is sourced from PubChem (CID 110853147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).