1-[3-(3-methylpiperazin-1-yl)-3-oxopropyl]pyridin-2-one;hydrochloride

C13H20ClN3O2 — CID 119580605

IUPAC1-[3-(3-methylpiperazin-1-yl)-3-oxopropyl]pyridin-2-one;hydrochloride
SMILESCC1CN(C(=O)CCn2ccccc2=O)CCN1.Cl
InChIInChI=1S/C13H19N3O2.ClH/c1-11-10-16(9-6-14-11)13(18)5-8-15-7-3-2-4-12(15)17;/h2-4,7,11,14H,5-6,8-10H2,1H3;1H
InChIKeyKQYCEQBMQLIEIO-UHFFFAOYSA-N
MW285.77 g/mol
LogP0.48
Rot. Bonds3

About 1-[3-(3-methylpiperazin-1-yl)-3-oxopropyl]pyridin-2-one;hydrochloride

1-[3-(3-methylpiperazin-1-yl)-3-oxopropyl]pyridin-2-one;hydrochloride (PubChem CID 119580605) has the molecular formula C13H20ClN3O2 and a molecular weight of 285.77 g/mol. Its IUPAC name is 1-[3-(3-methylpiperazin-1-yl)-3-oxopropyl]pyridin-2-one;hydrochloride.

Molecular Properties

Compound Name1-[3-(3-methylpiperazin-1-yl)-3-oxopropyl]pyridin-2-one;hydrochloride
PubChem CID119580605
Molecular FormulaC13H20ClN3O2
Molecular Weight285.77 g/mol
Exact Mass285.12
IUPAC Name1-[3-(3-methylpiperazin-1-yl)-3-oxopropyl]pyridin-2-one;hydrochloride
SMILESCC1CN(C(=O)CCn2ccccc2=O)CCN1.Cl
InChIInChI=1S/C13H19N3O2.ClH/c1-11-10-16(9-6-14-11)13(18)5-8-15-7-3-2-4-12(15)17;/h2-4,7,11,14H,5-6,8-10H2,1H3;1H
InChIKeyKQYCEQBMQLIEIO-UHFFFAOYSA-N
XLogP0.48
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.77
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[3-(3-methylpiperazin-1-yl)-3-oxopropyl]quinazolin-4-one;hydrochloride
CID 119578876
1-(3-methylpiperazin-1-yl)-3-phenylpropan-1-one;hydrochloride
CID 119260845
3-[3-(3-methylpiperazin-1-yl)-3-oxopropyl]-2H-phthalazine-1,4-dione;hydrochloride
CID 119578366
3-amino-1-[(3R)-3-methylpiperazin-1-yl]propan-1-one;hydrochloride
CID 130616004
1-[3-(3-methylpiperazin-1-yl)-3-oxopropyl]pyrrolidine-2,5-dione
CID 119580581
1-[3-[(3R)-3-(2-methylphenyl)piperidin-1-yl]-3-oxopropyl]pyridin-2-one
CID 96580971
3-methyl-1-[2-[(3S)-3-methylpiperazin-1-yl]-2-oxoethyl]pyrimidine-2,4-dione
CID 124591308
3-(2-methylphenyl)-1-(3-methylpiperazin-1-yl)propan-1-one
CID 65418972
2-(2-hydroxyphenyl)-1-[(3S)-3-methylpiperazin-1-yl]ethanone
CID 81427817
1-[3-(3-benzoylpiperidin-1-yl)-3-oxopropyl]pyridin-2-one
CID 70747255
1-[3-(3-hydroxy-3-methylpyrrolidin-1-yl)-3-oxopropyl]pyridin-2-one
CID 103726896
4-[3-(2-oxo-1-pyridinyl)propanoyl]-1,4-diazepan-2-one
CID 62898319

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-methylpiperazin-1-yl)-3-oxopropyl]pyridin-2-one;hydrochloride?
The IUPAC name of 1-[3-(3-methylpiperazin-1-yl)-3-oxopropyl]pyridin-2-one;hydrochloride (CID 119580605) is 1-[3-(3-methylpiperazin-1-yl)-3-oxopropyl]pyridin-2-one;hydrochloride.
What is the SMILES notation for 1-[3-(3-methylpiperazin-1-yl)-3-oxopropyl]pyridin-2-one;hydrochloride?
The canonical SMILES for 1-[3-(3-methylpiperazin-1-yl)-3-oxopropyl]pyridin-2-one;hydrochloride is CC1CN(C(=O)CCn2ccccc2=O)CCN1.Cl.
What is the InChIKey of 1-[3-(3-methylpiperazin-1-yl)-3-oxopropyl]pyridin-2-one;hydrochloride?
The InChIKey is KQYCEQBMQLIEIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2.ClH/c1-11-10-16(9-6-14-11)13(18)5-8-15-7-3-2-4-12(15)17;/h2-4,7,11,14H,5-6,8-10H2,1H3;1H.
What are the key properties of 1-[3-(3-methylpiperazin-1-yl)-3-oxopropyl]pyridin-2-one;hydrochloride?
1-[3-(3-methylpiperazin-1-yl)-3-oxopropyl]pyridin-2-one;hydrochloride has a molecular weight of 285.77 g/mol, XLogP of 0.48, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3-methylpiperazin-1-yl)-3-oxopropyl]pyridin-2-one;hydrochloride is sourced from PubChem (CID 119580605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).