1-(4-methylpiperazin-1-yl)-3-piperazin-1-ylpropan-1-one

C12H24N4O — CID 22120281

IUPAC1-(4-methylpiperazin-1-yl)-3-piperazin-1-ylpropan-1-one
SMILESCN1CCN(C(=O)CCN2CCNCC2)CC1
InChIInChI=1S/C12H24N4O/c1-14-8-10-16(11-9-14)12(17)2-5-15-6-3-13-4-7-15/h13H,2-11H2,1H3
InChIKeyOBFBSPNRFOVVMB-UHFFFAOYSA-N
MW240.35 g/mol
LogP-0.94
Rot. Bonds3

About 1-(4-methylpiperazin-1-yl)-3-piperazin-1-ylpropan-1-one

1-(4-methylpiperazin-1-yl)-3-piperazin-1-ylpropan-1-one (PubChem CID 22120281) has the molecular formula C12H24N4O and a molecular weight of 240.35 g/mol. Its IUPAC name is 1-(4-methylpiperazin-1-yl)-3-piperazin-1-ylpropan-1-one.

Molecular Properties

Compound Name1-(4-methylpiperazin-1-yl)-3-piperazin-1-ylpropan-1-one
PubChem CID22120281
Molecular FormulaC12H24N4O
Molecular Weight240.35 g/mol
Exact Mass240.20
IUPAC Name1-(4-methylpiperazin-1-yl)-3-piperazin-1-ylpropan-1-one
SMILESCN1CCN(C(=O)CCN2CCNCC2)CC1
InChIInChI=1S/C12H24N4O/c1-14-8-10-16(11-9-14)12(17)2-5-15-6-3-13-4-7-15/h13H,2-11H2,1H3
InChIKeyOBFBSPNRFOVVMB-UHFFFAOYSA-N
XLogP-0.94
TPSA38.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 5-0.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(2-piperazin-1-ylethyl)piperazin-1-yl]propan-1-one
CID 178104609
N-ethyl-4-(3-oxo-3-piperazin-1-ylpropyl)piperazine-1-carboxamide;hydrochloride
CID 120980560
1-morpholin-4-yl-3-piperazin-1-ylpropan-1-one;dihydrochloride
CID 53415361
2-(1,4-diazepan-1-yl)-1-(4-methyl-1,4-diazepan-1-yl)ethanone
CID 55123228
1-[4-[2-[4-(2-piperazin-1-ylethyl)piperazin-1-yl]ethyl]piperazin-1-yl]ethanone
CID 178104627
1-(3-methylpiperidin-1-yl)-3-piperazin-1-ylpropan-1-one
CID 82021369
3-(4-ethylsulfonylpiperazin-1-yl)-1-piperazin-1-ylpropan-1-one;hydrochloride
CID 120980697
1-[4-(4-fluorophenyl)piperazin-1-yl]-3-(4-methylpiperazin-1-yl)propan-1-one
CID 110853267
ethyl 3-[7-(3-ethoxy-3-oxopropyl)-1,4,7,10-tetrazacyclododec-1-yl]propanoate
CID 132559455
1-(4-methylpiperazin-1-yl)-3-piperidin-4-yloxypropan-1-one
CID 55251851
1-[4-[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]piperazin-1-yl]-3-piperidin-1-ylpropan-1-one
CID 3066008
3-(4-ethyl-4-methylpiperidin-1-yl)-1-piperazin-1-ylpropan-1-one;hydrochloride
CID 120981416

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylpiperazin-1-yl)-3-piperazin-1-ylpropan-1-one?
The IUPAC name of 1-(4-methylpiperazin-1-yl)-3-piperazin-1-ylpropan-1-one (CID 22120281) is 1-(4-methylpiperazin-1-yl)-3-piperazin-1-ylpropan-1-one.
What is the SMILES notation for 1-(4-methylpiperazin-1-yl)-3-piperazin-1-ylpropan-1-one?
The canonical SMILES for 1-(4-methylpiperazin-1-yl)-3-piperazin-1-ylpropan-1-one is CN1CCN(C(=O)CCN2CCNCC2)CC1.
What is the InChIKey of 1-(4-methylpiperazin-1-yl)-3-piperazin-1-ylpropan-1-one?
The InChIKey is OBFBSPNRFOVVMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4O/c1-14-8-10-16(11-9-14)12(17)2-5-15-6-3-13-4-7-15/h13H,2-11H2,1H3.
What are the key properties of 1-(4-methylpiperazin-1-yl)-3-piperazin-1-ylpropan-1-one?
1-(4-methylpiperazin-1-yl)-3-piperazin-1-ylpropan-1-one has a molecular weight of 240.35 g/mol, XLogP of -0.94, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylpiperazin-1-yl)-3-piperazin-1-ylpropan-1-one is sourced from PubChem (CID 22120281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).