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

C15H26N6O — CID 120982806

IUPAC3-[4-(1-methylpyrazol-4-yl)piperazin-1-yl]-1-piperazin-1-ylpropan-1-one
SMILESCn1cc(N2CCN(CCC(=O)N3CCNCC3)CC2)cn1
InChIInChI=1S/C15H26N6O/c1-18-13-14(12-17-18)20-10-8-19(9-11-20)5-2-15(22)21-6-3-16-4-7-21/h12-13,16H,2-11H2,1H3
InChIKeyXWPKWRIIGQZNPT-UHFFFAOYSA-N
MW306.41 g/mol
LogP-0.64
Rot. Bonds4

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

3-[4-(1-methylpyrazol-4-yl)piperazin-1-yl]-1-piperazin-1-ylpropan-1-one (PubChem CID 120982806) has the molecular formula C15H26N6O and a molecular weight of 306.41 g/mol. Its IUPAC name is 3-[4-(1-methylpyrazol-4-yl)piperazin-1-yl]-1-piperazin-1-ylpropan-1-one.

Molecular Properties

Compound Name3-[4-(1-methylpyrazol-4-yl)piperazin-1-yl]-1-piperazin-1-ylpropan-1-one
PubChem CID120982806
Molecular FormulaC15H26N6O
Molecular Weight306.41 g/mol
Exact Mass306.22
IUPAC Name3-[4-(1-methylpyrazol-4-yl)piperazin-1-yl]-1-piperazin-1-ylpropan-1-one
SMILESCn1cc(N2CCN(CCC(=O)N3CCNCC3)CC2)cn1
InChIInChI=1S/C15H26N6O/c1-18-13-14(12-17-18)20-10-8-19(9-11-20)5-2-15(22)21-6-3-16-4-7-21/h12-13,16H,2-11H2,1H3
InChIKeyXWPKWRIIGQZNPT-UHFFFAOYSA-N
XLogP-0.64
TPSA56.64 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 5-0.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[4-(3-methylphenyl)piperazin-1-yl]-1-piperazin-1-ylpropan-1-one
CID 119402779
1-(1,4-diazepan-1-yl)-3-(4-phenylpiperazin-1-yl)propan-1-one
CID 119418032
7-amino-1-[4-(1-methylpyrazol-4-yl)piperazin-1-yl]heptan-1-one
CID 119887294
3-[4-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]-1-piperazin-1-ylpropan-1-one;dihydrochloride
CID 120982781
1-(1,4-diazepan-1-yl)-3-[4-(3-methylphenyl)piperazin-1-yl]propan-1-one;dihydrochloride
CID 119417381
3-[2-methyl-2-(1-methylpyrazol-4-yl)morpholin-4-yl]-1-piperazin-1-ylpropan-1-one
CID 120982966
3-[4-(2-methoxyphenyl)piperazin-1-yl]-1-piperazin-1-ylpropan-1-one
CID 120982247
1-[4-(4-fluorophenyl)piperazin-1-yl]-3-(4-methylpiperazin-1-yl)propan-1-one
CID 110853267
1-(4-methylpiperazin-1-yl)-3-piperazin-1-ylpropan-1-one
CID 22120281
1-(4-methylpiperazin-1-yl)-3-(4-phenylpiperazin-1-yl)propan-1-one
CID 109017216
3-[4-(2-phenylethyl)piperazin-1-yl]-1-piperazin-1-ylpropan-1-one
CID 120982352
3-(4-methylpiperazin-1-yl)-1-(4-phenylpiperazin-1-yl)propan-1-one
CID 110853147

Frequently Asked Questions

What is the IUPAC name of 3-[4-(1-methylpyrazol-4-yl)piperazin-1-yl]-1-piperazin-1-ylpropan-1-one?
The IUPAC name of 3-[4-(1-methylpyrazol-4-yl)piperazin-1-yl]-1-piperazin-1-ylpropan-1-one (CID 120982806) is 3-[4-(1-methylpyrazol-4-yl)piperazin-1-yl]-1-piperazin-1-ylpropan-1-one.
What is the SMILES notation for 3-[4-(1-methylpyrazol-4-yl)piperazin-1-yl]-1-piperazin-1-ylpropan-1-one?
The canonical SMILES for 3-[4-(1-methylpyrazol-4-yl)piperazin-1-yl]-1-piperazin-1-ylpropan-1-one is Cn1cc(N2CCN(CCC(=O)N3CCNCC3)CC2)cn1.
What is the InChIKey of 3-[4-(1-methylpyrazol-4-yl)piperazin-1-yl]-1-piperazin-1-ylpropan-1-one?
The InChIKey is XWPKWRIIGQZNPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N6O/c1-18-13-14(12-17-18)20-10-8-19(9-11-20)5-2-15(22)21-6-3-16-4-7-21/h12-13,16H,2-11H2,1H3.
What are the key properties of 3-[4-(1-methylpyrazol-4-yl)piperazin-1-yl]-1-piperazin-1-ylpropan-1-one?
3-[4-(1-methylpyrazol-4-yl)piperazin-1-yl]-1-piperazin-1-ylpropan-1-one has a molecular weight of 306.41 g/mol, XLogP of -0.64, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(1-methylpyrazol-4-yl)piperazin-1-yl]-1-piperazin-1-ylpropan-1-one is sourced from PubChem (CID 120982806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).