2-(3-oxopentan-2-yl)-5-piperidin-1-ylpyridazin-3-one

C14H21N3O2 — CID 114396137

IUPAC2-(3-oxopentan-2-yl)-5-piperidin-1-ylpyridazin-3-one
SMILESCCC(=O)C(C)n1ncc(N2CCCCC2)cc1=O
InChIInChI=1S/C14H21N3O2/c1-3-13(18)11(2)17-14(19)9-12(10-15-17)16-7-5-4-6-8-16/h9-11H,3-8H2,1-2H3
InChIKeyHUBKSOARHRHYJT-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.77
Rot. Bonds4

About 2-(3-oxopentan-2-yl)-5-piperidin-1-ylpyridazin-3-one

2-(3-oxopentan-2-yl)-5-piperidin-1-ylpyridazin-3-one (PubChem CID 114396137) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 2-(3-oxopentan-2-yl)-5-piperidin-1-ylpyridazin-3-one.

Molecular Properties

Compound Name2-(3-oxopentan-2-yl)-5-piperidin-1-ylpyridazin-3-one
PubChem CID114396137
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name2-(3-oxopentan-2-yl)-5-piperidin-1-ylpyridazin-3-one
SMILESCCC(=O)C(C)n1ncc(N2CCCCC2)cc1=O
InChIInChI=1S/C14H21N3O2/c1-3-13(18)11(2)17-14(19)9-12(10-15-17)16-7-5-4-6-8-16/h9-11H,3-8H2,1-2H3
InChIKeyHUBKSOARHRHYJT-UHFFFAOYSA-N
XLogP1.77
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-2-(2-oxopropyl)-5-piperidino-3(2H)-pyridazinone
CID 1479808
2-(3-methyl-2-buten-1-yl)-5-(1-piperidinyl)-3(2H)-pyridazinone
CID 29023190
2-[2-(2-butyl-4-methyl-3-oxopiperazin-1-yl)-2-oxoethyl]-5-(dimethylamino)pyridazin-3(2H)-one
CID 72838958
N-[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]propanamide
CID 110876546
N~1~-[1-(1-Ethyl-6-oxo-1,6-dihydro-4-pyridazinyl)-4-piperidyl]propanamide
CID 110876551
2-methyl-5-(piperidin-1-yl)pyridazin-3(2H)-one
CID 13103626
2-(2-oxobutyl)-5-(1-piperazinyl)-3(2H)-pyridazinone
CID 29085430
2-(6-Oxo-4-piperidin-1-ylpyridazin-1-yl)propanamide
CID 56885798
5-(dimethylamino)-2-[2-(1-methylpiperidin-2-yl)ethyl]pyridazin-3(2H)-one
CID 72844544
5-(dimethylamino)-2-[2-[(2R)-1-methylpiperidin-2-yl]ethyl]pyridazin-3-one
CID 97188203
5-(dimethylamino)-2-[2-[(2S)-1-methylpiperidin-2-yl]ethyl]pyridazin-3-one
CID 97188204
2-[2-[(2R)-2-butyl-4-methyl-3-oxopiperazin-1-yl]-2-oxoethyl]-5-(dimethylamino)pyridazin-3-one
CID 97268317

Frequently Asked Questions

What is the IUPAC name of 2-(3-oxopentan-2-yl)-5-piperidin-1-ylpyridazin-3-one?
The IUPAC name of 2-(3-oxopentan-2-yl)-5-piperidin-1-ylpyridazin-3-one (CID 114396137) is 2-(3-oxopentan-2-yl)-5-piperidin-1-ylpyridazin-3-one.
What is the SMILES notation for 2-(3-oxopentan-2-yl)-5-piperidin-1-ylpyridazin-3-one?
The canonical SMILES for 2-(3-oxopentan-2-yl)-5-piperidin-1-ylpyridazin-3-one is CCC(=O)C(C)n1ncc(N2CCCCC2)cc1=O.
What is the InChIKey of 2-(3-oxopentan-2-yl)-5-piperidin-1-ylpyridazin-3-one?
The InChIKey is HUBKSOARHRHYJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-3-13(18)11(2)17-14(19)9-12(10-15-17)16-7-5-4-6-8-16/h9-11H,3-8H2,1-2H3.
What are the key properties of 2-(3-oxopentan-2-yl)-5-piperidin-1-ylpyridazin-3-one?
2-(3-oxopentan-2-yl)-5-piperidin-1-ylpyridazin-3-one has a molecular weight of 263.34 g/mol, XLogP of 1.77, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-oxopentan-2-yl)-5-piperidin-1-ylpyridazin-3-one is sourced from PubChem (CID 114396137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).