1-piperazin-1-yl-3-pyridin-3-ylbutan-1-one

C13H19N3O — CID 82510316

IUPAC1-piperazin-1-yl-3-pyridin-3-ylbutan-1-one
SMILESCC(CC(=O)N1CCNCC1)c1cccnc1
InChIInChI=1S/C13H19N3O/c1-11(12-3-2-4-15-10-12)9-13(17)16-7-5-14-6-8-16/h2-4,10-11,14H,5-9H2,1H3
InChIKeySFJMRQAVSQOPAL-UHFFFAOYSA-N
MW233.32 g/mol
LogP1.01
Rot. Bonds3

About 1-piperazin-1-yl-3-pyridin-3-ylbutan-1-one

1-piperazin-1-yl-3-pyridin-3-ylbutan-1-one (PubChem CID 82510316) has the molecular formula C13H19N3O and a molecular weight of 233.32 g/mol. Its IUPAC name is 1-piperazin-1-yl-3-pyridin-3-ylbutan-1-one.

Molecular Properties

Compound Name1-piperazin-1-yl-3-pyridin-3-ylbutan-1-one
PubChem CID82510316
Molecular FormulaC13H19N3O
Molecular Weight233.32 g/mol
Exact Mass233.15
IUPAC Name1-piperazin-1-yl-3-pyridin-3-ylbutan-1-one
SMILESCC(CC(=O)N1CCNCC1)c1cccnc1
InChIInChI=1S/C13H19N3O/c1-11(12-3-2-4-15-10-12)9-13(17)16-7-5-14-6-8-16/h2-4,10-11,14H,5-9H2,1H3
InChIKeySFJMRQAVSQOPAL-UHFFFAOYSA-N
XLogP1.01
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.32
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-phenyl-1-piperazin-1-ylbutan-1-one;hydrochloride
CID 119401565
1-(3-methylpiperidin-1-yl)-3-pyridin-3-ylbutan-1-one
CID 110649410
3-(3-methoxyphenyl)-1-piperazin-1-ylbutan-1-one
CID 82090911
1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3-pyridin-3-ylbutan-1-one
CID 110648962
1-[(2R)-2-pyridin-3-ylpropyl]piperazine
CID 67593511
2-hydroxy-1-piperazin-1-yl-2-pyridin-3-ylethanone
CID 82509337
1-(4-amino-3,3-dimethylpiperidin-1-yl)-3-pyridin-3-ylbutan-1-one
CID 120819647
1-(1,4-diazepan-1-yl)-2-methyl-3-pyridin-3-ylpropan-1-one
CID 82086571
ethyl 3-pyridin-3-ylbutanoate
CID 12727116
3-phenyl-1-(2-pyridin-3-ylpiperazin-1-yl)butan-1-one;hydrochloride
CID 120731691
(2S)-2-piperazin-1-yl-2-pyridin-3-ylacetic acid
CID 93409129
1-(3-methylpiperazin-1-yl)-3-pyridin-4-ylbutan-1-one
CID 122147864

Frequently Asked Questions

What is the IUPAC name of 1-piperazin-1-yl-3-pyridin-3-ylbutan-1-one?
The IUPAC name of 1-piperazin-1-yl-3-pyridin-3-ylbutan-1-one (CID 82510316) is 1-piperazin-1-yl-3-pyridin-3-ylbutan-1-one.
What is the SMILES notation for 1-piperazin-1-yl-3-pyridin-3-ylbutan-1-one?
The canonical SMILES for 1-piperazin-1-yl-3-pyridin-3-ylbutan-1-one is CC(CC(=O)N1CCNCC1)c1cccnc1.
What is the InChIKey of 1-piperazin-1-yl-3-pyridin-3-ylbutan-1-one?
The InChIKey is SFJMRQAVSQOPAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-11(12-3-2-4-15-10-12)9-13(17)16-7-5-14-6-8-16/h2-4,10-11,14H,5-9H2,1H3.
What are the key properties of 1-piperazin-1-yl-3-pyridin-3-ylbutan-1-one?
1-piperazin-1-yl-3-pyridin-3-ylbutan-1-one has a molecular weight of 233.32 g/mol, XLogP of 1.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperazin-1-yl-3-pyridin-3-ylbutan-1-one is sourced from PubChem (CID 82510316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).