2-methyl-1,3-di(piperazin-1-yl)propan-1-one

C12H24N4O — CID 82511421

IUPAC2-methyl-1,3-di(piperazin-1-yl)propan-1-one
SMILESCC(CN1CCNCC1)C(=O)N1CCNCC1
InChIInChI=1S/C12H24N4O/c1-11(10-15-6-2-13-3-7-15)12(17)16-8-4-14-5-9-16/h11,13-14H,2-10H2,1H3
InChIKeyXXQFDXSPSYXCEN-UHFFFAOYSA-N
MW240.35 g/mol
LogP-1.04
Rot. Bonds3

About 2-methyl-1,3-di(piperazin-1-yl)propan-1-one

2-methyl-1,3-di(piperazin-1-yl)propan-1-one (PubChem CID 82511421) has the molecular formula C12H24N4O and a molecular weight of 240.35 g/mol. Its IUPAC name is 2-methyl-1,3-di(piperazin-1-yl)propan-1-one.

Molecular Properties

Compound Name2-methyl-1,3-di(piperazin-1-yl)propan-1-one
PubChem CID82511421
Molecular FormulaC12H24N4O
Molecular Weight240.35 g/mol
Exact Mass240.20
IUPAC Name2-methyl-1,3-di(piperazin-1-yl)propan-1-one
SMILESCC(CN1CCNCC1)C(=O)N1CCNCC1
InChIInChI=1S/C12H24N4O/c1-11(10-15-6-2-13-3-7-15)12(17)16-8-4-14-5-9-16/h11,13-14H,2-10H2,1H3
InChIKeyXXQFDXSPSYXCEN-UHFFFAOYSA-N
XLogP-1.04
TPSA47.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 5-1.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-1,3-di(piperazin-1-yl)propan-1-one
CID 82511538
2-methyl-1-piperazin-1-yl-3-(1,2,4-triazol-4-yl)propan-1-one
CID 82509589
2-(2-methyl-3-piperazin-1-ylpropanoyl)oxyethyl 2-methyl-3-piperazin-1-ylpropanoate
CID 142196227
(2S)-3-methoxy-2-methyl-1-piperazin-1-ylpropan-1-one
CID 96682051
2-methyl-1-piperazin-1-ylhexan-1-one
CID 53216088
3-(2-methyl-3-oxo-3-piperazin-1-ylpropyl)-1,3-oxazolidin-2-one
CID 82511477
[4-(2-methylpropyl)piperazin-1-yl]-piperazin-1-ylmethanone
CID 62775488
6-amino-2-methyl-1-piperazin-1-ylheptan-1-one
CID 65292866
1-cyclopentyl-2-methyl-3-piperazin-1-ylpropan-1-one
CID 116924032
N-methyl-N-(2-methyl-3-oxo-3-piperazin-1-ylpropyl)formamide
CID 82508662
4-amino-1-(1,4-diazepan-1-yl)-2-methylbutan-1-one
CID 80542520
3-cyclopentyl-2-methyl-1-piperazin-1-ylpropan-1-one;hydrochloride
CID 119401435

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1,3-di(piperazin-1-yl)propan-1-one?
The IUPAC name of 2-methyl-1,3-di(piperazin-1-yl)propan-1-one (CID 82511421) is 2-methyl-1,3-di(piperazin-1-yl)propan-1-one.
What is the SMILES notation for 2-methyl-1,3-di(piperazin-1-yl)propan-1-one?
The canonical SMILES for 2-methyl-1,3-di(piperazin-1-yl)propan-1-one is CC(CN1CCNCC1)C(=O)N1CCNCC1.
What is the InChIKey of 2-methyl-1,3-di(piperazin-1-yl)propan-1-one?
The InChIKey is XXQFDXSPSYXCEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4O/c1-11(10-15-6-2-13-3-7-15)12(17)16-8-4-14-5-9-16/h11,13-14H,2-10H2,1H3.
What are the key properties of 2-methyl-1,3-di(piperazin-1-yl)propan-1-one?
2-methyl-1,3-di(piperazin-1-yl)propan-1-one has a molecular weight of 240.35 g/mol, XLogP of -1.04, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1,3-di(piperazin-1-yl)propan-1-one is sourced from PubChem (CID 82511421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).