3-phenyl-1-(2-pyridin-3-ylpiperazin-1-yl)butan-1-one;hydrochloride

C19H24ClN3O — CID 120731691

IUPAC3-phenyl-1-(2-pyridin-3-ylpiperazin-1-yl)butan-1-one;hydrochloride
SMILESCC(CC(=O)N1CCNCC1c1cccnc1)c1ccccc1.Cl
InChIInChI=1S/C19H23N3O.ClH/c1-15(16-6-3-2-4-7-16)12-19(23)22-11-10-21-14-18(22)17-8-5-9-20-13-17;/h2-9,13,15,18,21H,10-12,14H2,1H3;1H
InChIKeyXBUOMNYEYUMTCH-UHFFFAOYSA-N
MW345.87 g/mol
LogP3.17
Rot. Bonds4

About 3-phenyl-1-(2-pyridin-3-ylpiperazin-1-yl)butan-1-one;hydrochloride

3-phenyl-1-(2-pyridin-3-ylpiperazin-1-yl)butan-1-one;hydrochloride (PubChem CID 120731691) has the molecular formula C19H24ClN3O and a molecular weight of 345.87 g/mol. Its IUPAC name is 3-phenyl-1-(2-pyridin-3-ylpiperazin-1-yl)butan-1-one;hydrochloride.

Molecular Properties

Compound Name3-phenyl-1-(2-pyridin-3-ylpiperazin-1-yl)butan-1-one;hydrochloride
PubChem CID120731691
Molecular FormulaC19H24ClN3O
Molecular Weight345.87 g/mol
Exact Mass345.16
IUPAC Name3-phenyl-1-(2-pyridin-3-ylpiperazin-1-yl)butan-1-one;hydrochloride
SMILESCC(CC(=O)N1CCNCC1c1cccnc1)c1ccccc1.Cl
InChIInChI=1S/C19H23N3O.ClH/c1-15(16-6-3-2-4-7-16)12-19(23)22-11-10-21-14-18(22)17-8-5-9-20-13-17;/h2-9,13,15,18,21H,10-12,14H2,1H3;1H
InChIKeyXBUOMNYEYUMTCH-UHFFFAOYSA-N
XLogP3.17
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.87
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-fluorophenyl)-1-(2-pyridin-3-ylpiperazin-1-yl)butan-1-one
CID 120732515
3-(4-ethylphenyl)-1-(2-pyridin-3-ylpiperazin-1-yl)butan-1-one;hydrochloride
CID 120731922
3-methyl-1-(2-pyridin-3-ylpiperazin-1-yl)butan-1-one;hydrochloride
CID 120731237
4-methyl-1-(2-pyridin-3-ylpiperazin-1-yl)pentan-1-one
CID 120729213
2-propan-2-ylsulfonyl-1-(2-pyridin-3-ylpiperazin-1-yl)ethanone;hydrochloride
CID 120730025
3-(4-methylpentan-2-yloxy)-1-(2-pyridin-3-ylpiperazin-1-yl)propan-1-one;hydrochloride
CID 120730863
2-methyl-3-phenylsulfanyl-1-(2-pyridin-3-ylpiperazin-1-yl)propan-1-one
CID 120730946
1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-3-phenylbutan-1-one
CID 120880922
2-[benzyl(methyl)amino]-1-(2-pyridin-3-ylpiperazin-1-yl)ethanone
CID 120731815
1-(1-phenylethyl)-4-(2-pyridin-3-ylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 120731176
2-ethyl-1-(2-pyridin-3-ylpiperazin-1-yl)butan-1-one
CID 120731770
(2-pyridin-3-ylpiperazin-1-yl)-(2,2,3,3-tetramethylcyclopropyl)methanone;hydrochloride
CID 120730545

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-1-(2-pyridin-3-ylpiperazin-1-yl)butan-1-one;hydrochloride?
The IUPAC name of 3-phenyl-1-(2-pyridin-3-ylpiperazin-1-yl)butan-1-one;hydrochloride (CID 120731691) is 3-phenyl-1-(2-pyridin-3-ylpiperazin-1-yl)butan-1-one;hydrochloride.
What is the SMILES notation for 3-phenyl-1-(2-pyridin-3-ylpiperazin-1-yl)butan-1-one;hydrochloride?
The canonical SMILES for 3-phenyl-1-(2-pyridin-3-ylpiperazin-1-yl)butan-1-one;hydrochloride is CC(CC(=O)N1CCNCC1c1cccnc1)c1ccccc1.Cl.
What is the InChIKey of 3-phenyl-1-(2-pyridin-3-ylpiperazin-1-yl)butan-1-one;hydrochloride?
The InChIKey is XBUOMNYEYUMTCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O.ClH/c1-15(16-6-3-2-4-7-16)12-19(23)22-11-10-21-14-18(22)17-8-5-9-20-13-17;/h2-9,13,15,18,21H,10-12,14H2,1H3;1H.
What are the key properties of 3-phenyl-1-(2-pyridin-3-ylpiperazin-1-yl)butan-1-one;hydrochloride?
3-phenyl-1-(2-pyridin-3-ylpiperazin-1-yl)butan-1-one;hydrochloride has a molecular weight of 345.87 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-1-(2-pyridin-3-ylpiperazin-1-yl)butan-1-one;hydrochloride is sourced from PubChem (CID 120731691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).