1-(3,3-dimethylpiperazin-1-yl)-4-pyridin-4-ylbutan-1-one

C15H23N3O — CID 115273253

IUPAC1-(3,3-dimethylpiperazin-1-yl)-4-pyridin-4-ylbutan-1-one
SMILESCC1(C)CN(C(=O)CCCc2ccncc2)CCN1
InChIInChI=1S/C15H23N3O/c1-15(2)12-18(11-10-17-15)14(19)5-3-4-13-6-8-16-9-7-13/h6-9,17H,3-5,10-12H2,1-2H3
InChIKeyJLGRFZNQUVRFON-UHFFFAOYSA-N
MW261.37 g/mol
LogP1.61
Rot. Bonds4

About 1-(3,3-dimethylpiperazin-1-yl)-4-pyridin-4-ylbutan-1-one

1-(3,3-dimethylpiperazin-1-yl)-4-pyridin-4-ylbutan-1-one (PubChem CID 115273253) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 1-(3,3-dimethylpiperazin-1-yl)-4-pyridin-4-ylbutan-1-one.

Molecular Properties

Compound Name1-(3,3-dimethylpiperazin-1-yl)-4-pyridin-4-ylbutan-1-one
PubChem CID115273253
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name1-(3,3-dimethylpiperazin-1-yl)-4-pyridin-4-ylbutan-1-one
SMILESCC1(C)CN(C(=O)CCCc2ccncc2)CCN1
InChIInChI=1S/C15H23N3O/c1-15(2)12-18(11-10-17-15)14(19)5-3-4-13-6-8-16-9-7-13/h6-9,17H,3-5,10-12H2,1-2H3
InChIKeyJLGRFZNQUVRFON-UHFFFAOYSA-N
XLogP1.61
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

acetic acid;1-(6-oxa-2,9-diazaspiro[4.5]decan-9-yl)-3-pyridin-4-ylpropan-1-one
CID 154922136
1-(3-hydroxy-2,2-dimethylpyrrolidin-1-yl)-4-pyridin-4-ylbutan-1-one
CID 115275087
4-(4-methylphenyl)-1-piperazin-1-ylbutan-1-one
CID 82086276
3-propan-2-yl-1-(3-pyridin-4-ylpropanoyl)pyrrolidine-3-carboxylic acid
CID 106982425
1-(3,3-dimethylpiperazin-1-yl)-3-methylbutan-1-one
CID 79001578
4,4-dimethyl-1-(3-pyridin-4-ylpropanoyl)piperidin-3-one
CID 115276831
(3R)-1-[4-(4-methoxyphenyl)butanoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 124686375
2-(2,5-difluorophenyl)-1-(3,3-dimethylpiperazin-1-yl)ethanone
CID 115273206
3-(2,2-difluoroethoxy)-1-(3,3-dimethylpiperazin-1-yl)propan-1-one
CID 103206298
benzyl 3,3-dimethylpiperazine-1-carboxylate
CID 51358536
1-[4-(2,4-difluorophenyl)piperazin-1-yl]-4-pyridin-4-ylbutan-1-one
CID 70313673
1-(3-pyridin-4-ylpropanoyl)piperidin-4-one
CID 82475134

Frequently Asked Questions

What is the IUPAC name of 1-(3,3-dimethylpiperazin-1-yl)-4-pyridin-4-ylbutan-1-one?
The IUPAC name of 1-(3,3-dimethylpiperazin-1-yl)-4-pyridin-4-ylbutan-1-one (CID 115273253) is 1-(3,3-dimethylpiperazin-1-yl)-4-pyridin-4-ylbutan-1-one.
What is the SMILES notation for 1-(3,3-dimethylpiperazin-1-yl)-4-pyridin-4-ylbutan-1-one?
The canonical SMILES for 1-(3,3-dimethylpiperazin-1-yl)-4-pyridin-4-ylbutan-1-one is CC1(C)CN(C(=O)CCCc2ccncc2)CCN1.
What is the InChIKey of 1-(3,3-dimethylpiperazin-1-yl)-4-pyridin-4-ylbutan-1-one?
The InChIKey is JLGRFZNQUVRFON-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-15(2)12-18(11-10-17-15)14(19)5-3-4-13-6-8-16-9-7-13/h6-9,17H,3-5,10-12H2,1-2H3.
What are the key properties of 1-(3,3-dimethylpiperazin-1-yl)-4-pyridin-4-ylbutan-1-one?
1-(3,3-dimethylpiperazin-1-yl)-4-pyridin-4-ylbutan-1-one has a molecular weight of 261.37 g/mol, XLogP of 1.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-dimethylpiperazin-1-yl)-4-pyridin-4-ylbutan-1-one is sourced from PubChem (CID 115273253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).