3-(2-piperazin-1-ylpropyl)-1H-pyridin-2-one

C12H19N3O — CID 83890200

IUPAC3-(2-piperazin-1-ylpropyl)-1H-pyridin-2-one
SMILESCC(Cc1ccc[nH]c1=O)N1CCNCC1
InChIInChI=1S/C12H19N3O/c1-10(15-7-5-13-6-8-15)9-11-3-2-4-14-12(11)16/h2-4,10,13H,5-9H2,1H3,(H,14,16)
InChIKeyNWQXGRCNUJTILO-UHFFFAOYSA-N
MW221.30 g/mol
LogP0.21
Rot. Bonds3

About 3-(2-piperazin-1-ylpropyl)-1H-pyridin-2-one

3-(2-piperazin-1-ylpropyl)-1H-pyridin-2-one (PubChem CID 83890200) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 3-(2-piperazin-1-ylpropyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name3-(2-piperazin-1-ylpropyl)-1H-pyridin-2-one
PubChem CID83890200
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name3-(2-piperazin-1-ylpropyl)-1H-pyridin-2-one
SMILESCC(Cc1ccc[nH]c1=O)N1CCNCC1
InChIInChI=1S/C12H19N3O/c1-10(15-7-5-13-6-8-15)9-11-3-2-4-14-12(11)16/h2-4,10,13H,5-9H2,1H3,(H,14,16)
InChIKeyNWQXGRCNUJTILO-UHFFFAOYSA-N
XLogP0.21
TPSA48.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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1-[1-(2,5-dimethylphenyl)propan-2-yl]piperazine
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N-methyl-3-piperazin-1-yl-N-(1H-pyrrol-2-ylmethyl)butan-1-amine
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2-methyl-N-(2-piperazin-1-ylpropyl)-2-(1H-pyrrol-2-yl)propan-1-amine
CID 115255800
1-[1-(2,4-dichlorophenyl)propan-2-yl]piperazine
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3-piperazin-1-yl-N-(1H-pyrrol-2-ylmethyl)butanamide
CID 115189153
1-[1-(1H-pyrrol-2-yl)ethyl]piperazine;hydrochloride
CID 71637758
1-[1-(4-methoxy-2,5-dimethylphenyl)propan-2-yl]piperazine
CID 82302982
5-(2-piperazin-1-ylpropyl)-1,3-dihydrobenzimidazol-2-one
CID 82500602
1-[4-(2-fluorophenyl)butan-2-yl]piperazine
CID 82044268
1-[4-(2-chlorophenyl)butan-2-yl]piperazine
CID 82044743
1-[1-(3-bromophenyl)propan-2-yl]piperazine
CID 82024249

Frequently Asked Questions

What is the IUPAC name of 3-(2-piperazin-1-ylpropyl)-1H-pyridin-2-one?
The IUPAC name of 3-(2-piperazin-1-ylpropyl)-1H-pyridin-2-one (CID 83890200) is 3-(2-piperazin-1-ylpropyl)-1H-pyridin-2-one.
What is the SMILES notation for 3-(2-piperazin-1-ylpropyl)-1H-pyridin-2-one?
The canonical SMILES for 3-(2-piperazin-1-ylpropyl)-1H-pyridin-2-one is CC(Cc1ccc[nH]c1=O)N1CCNCC1.
What is the InChIKey of 3-(2-piperazin-1-ylpropyl)-1H-pyridin-2-one?
The InChIKey is NWQXGRCNUJTILO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-10(15-7-5-13-6-8-15)9-11-3-2-4-14-12(11)16/h2-4,10,13H,5-9H2,1H3,(H,14,16).
What are the key properties of 3-(2-piperazin-1-ylpropyl)-1H-pyridin-2-one?
3-(2-piperazin-1-ylpropyl)-1H-pyridin-2-one has a molecular weight of 221.30 g/mol, XLogP of 0.21, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-piperazin-1-ylpropyl)-1H-pyridin-2-one is sourced from PubChem (CID 83890200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).