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

C18H28N4O — CID 119402779

IUPAC3-[4-(3-methylphenyl)piperazin-1-yl]-1-piperazin-1-ylpropan-1-one
SMILESCc1cccc(N2CCN(CCC(=O)N3CCNCC3)CC2)c1
InChIInChI=1S/C18H28N4O/c1-16-3-2-4-17(15-16)21-13-11-20(12-14-21)8-5-18(23)22-9-6-19-7-10-22/h2-4,15,19H,5-14H2,1H3
InChIKeyRHQNXUYRKVFRGX-UHFFFAOYSA-N
MW316.45 g/mol
LogP0.94
Rot. Bonds4

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

3-[4-(3-methylphenyl)piperazin-1-yl]-1-piperazin-1-ylpropan-1-one (PubChem CID 119402779) has the molecular formula C18H28N4O and a molecular weight of 316.45 g/mol. Its IUPAC name is 3-[4-(3-methylphenyl)piperazin-1-yl]-1-piperazin-1-ylpropan-1-one.

Molecular Properties

Compound Name3-[4-(3-methylphenyl)piperazin-1-yl]-1-piperazin-1-ylpropan-1-one
PubChem CID119402779
Molecular FormulaC18H28N4O
Molecular Weight316.45 g/mol
Exact Mass316.23
IUPAC Name3-[4-(3-methylphenyl)piperazin-1-yl]-1-piperazin-1-ylpropan-1-one
SMILESCc1cccc(N2CCN(CCC(=O)N3CCNCC3)CC2)c1
InChIInChI=1S/C18H28N4O/c1-16-3-2-4-17(15-16)21-13-11-20(12-14-21)8-5-18(23)22-9-6-19-7-10-22/h2-4,15,19H,5-14H2,1H3
InChIKeyRHQNXUYRKVFRGX-UHFFFAOYSA-N
XLogP0.94
TPSA38.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.45
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1,4-diazepan-1-yl)-3-[4-(3-methylphenyl)piperazin-1-yl]propan-1-one;dihydrochloride
CID 119417381
1-[3-[4-(3-methylphenyl)piperazin-1-yl]propanoyl]piperidine-4-carboxylic acid
CID 119349672
3-[4-(3-methylphenyl)piperazin-1-yl]propanoic acid;dihydrochloride
CID 43810604
1-(1,4-diazepan-1-yl)-3-(4-phenylpiperazin-1-yl)propan-1-one
CID 119418032
1-[4-(ethylaminomethyl)piperidin-1-yl]-3-[4-(3-methylphenyl)piperazin-1-yl]propan-1-one;dihydrochloride
CID 119647186
1-[4-(3-aminopropoxy)piperidin-1-yl]-3-[4-(3-methylphenyl)piperazin-1-yl]propan-1-one
CID 119663793
4-[4-(3-methylphenyl)piperazin-1-yl]-4-oxobutanoate
CID 6950012
5-hydroxy-1-[4-(3-methylphenyl)piperazin-1-yl]pentan-1-one
CID 79199880
3-[4-(1-methylpyrazol-4-yl)piperazin-1-yl]-1-piperazin-1-ylpropan-1-one
CID 120982806
3-[4-(3-chlorophenyl)piperazin-1-yl]-1-(4-ethylpiperazin-1-yl)propan-1-one
CID 109017492
4-[[4-(3-methylphenyl)piperazin-1-yl]methyl]piperidin-4-ol
CID 62221487
2-chloro-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone
CID 4741226

Frequently Asked Questions

What is the IUPAC name of 3-[4-(3-methylphenyl)piperazin-1-yl]-1-piperazin-1-ylpropan-1-one?
The IUPAC name of 3-[4-(3-methylphenyl)piperazin-1-yl]-1-piperazin-1-ylpropan-1-one (CID 119402779) is 3-[4-(3-methylphenyl)piperazin-1-yl]-1-piperazin-1-ylpropan-1-one.
What is the SMILES notation for 3-[4-(3-methylphenyl)piperazin-1-yl]-1-piperazin-1-ylpropan-1-one?
The canonical SMILES for 3-[4-(3-methylphenyl)piperazin-1-yl]-1-piperazin-1-ylpropan-1-one is Cc1cccc(N2CCN(CCC(=O)N3CCNCC3)CC2)c1.
What is the InChIKey of 3-[4-(3-methylphenyl)piperazin-1-yl]-1-piperazin-1-ylpropan-1-one?
The InChIKey is RHQNXUYRKVFRGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O/c1-16-3-2-4-17(15-16)21-13-11-20(12-14-21)8-5-18(23)22-9-6-19-7-10-22/h2-4,15,19H,5-14H2,1H3.
What are the key properties of 3-[4-(3-methylphenyl)piperazin-1-yl]-1-piperazin-1-ylpropan-1-one?
3-[4-(3-methylphenyl)piperazin-1-yl]-1-piperazin-1-ylpropan-1-one has a molecular weight of 316.45 g/mol, XLogP of 0.94, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(3-methylphenyl)piperazin-1-yl]-1-piperazin-1-ylpropan-1-one is sourced from PubChem (CID 119402779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).