6-cyclopropyl-2-[1-(2-ethylpiperidin-1-yl)-1-oxopropan-2-yl]pyridazin-3-one

C17H25N3O2 — CID 122278749

IUPAC6-cyclopropyl-2-[1-(2-ethylpiperidin-1-yl)-1-oxopropan-2-yl]pyridazin-3-one
SMILESCCC1CCCCN1C(=O)C(C)n1nc(C2CC2)ccc1=O
InChIInChI=1S/C17H25N3O2/c1-3-14-6-4-5-11-19(14)17(22)12(2)20-16(21)10-9-15(18-20)13-7-8-13/h9-10,12-14H,3-8,11H2,1-2H3
InChIKeyMSQKMRVFAFVRKY-UHFFFAOYSA-N
MW303.41 g/mol
LogP2.47
Rot. Bonds4

About 6-cyclopropyl-2-[1-(2-ethylpiperidin-1-yl)-1-oxopropan-2-yl]pyridazin-3-one

6-cyclopropyl-2-[1-(2-ethylpiperidin-1-yl)-1-oxopropan-2-yl]pyridazin-3-one (PubChem CID 122278749) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is 6-cyclopropyl-2-[1-(2-ethylpiperidin-1-yl)-1-oxopropan-2-yl]pyridazin-3-one.

Molecular Properties

Compound Name6-cyclopropyl-2-[1-(2-ethylpiperidin-1-yl)-1-oxopropan-2-yl]pyridazin-3-one
PubChem CID122278749
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC Name6-cyclopropyl-2-[1-(2-ethylpiperidin-1-yl)-1-oxopropan-2-yl]pyridazin-3-one
SMILESCCC1CCCCN1C(=O)C(C)n1nc(C2CC2)ccc1=O
InChIInChI=1S/C17H25N3O2/c1-3-14-6-4-5-11-19(14)17(22)12(2)20-16(21)10-9-15(18-20)13-7-8-13/h9-10,12-14H,3-8,11H2,1-2H3
InChIKeyMSQKMRVFAFVRKY-UHFFFAOYSA-N
XLogP2.47
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(azepan-1-yl)-1-oxopropan-2-yl]-6-cyclopropylpyridazin-3-one
CID 122278751
2-[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl]-6-phenylpyridazin-3-one
CID 94182934
[1-(2-ethylpiperidin-1-yl)-1-oxopropan-2-yl] 1-methyl-6-oxopyridazine-3-carboxylate
CID 55734799
(2R)-2-[4-bromo-3-(difluoromethyl)-5-methylpyrazol-1-yl]-1-[(2S)-2-ethylpiperidin-1-yl]propan-1-one
CID 51390058
2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-(oxolan-2-ylmethyl)propanamide
CID 122278741
2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-[2-(4-ethoxyphenoxy)ethyl]propanamide
CID 122278956
(2R)-1-[(2R)-2-ethylpiperidin-1-yl]-2-methylpentan-1-one
CID 875586
N-(4-bromophenyl)-2-(3-cyclopropyl-6-oxopyridazin-1-yl)propanamide
CID 122278854
N-butan-2-yl-5-(2-ethylpiperidine-1-carbonyl)pyridine-3-carboxamide
CID 109102362
2-ethyl-N-propan-2-ylpiperidine-1-carbothioamide
CID 19654742
[4-[(2S)-2-ethylpiperidine-1-carbonyl]phenyl]-[(2R)-2-ethylpiperidin-1-yl]methanone
CID 1087323
1-(2-ethylazepan-1-yl)-2-methyl-3-(methylamino)propan-1-one;hydrochloride
CID 119793413

Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-2-[1-(2-ethylpiperidin-1-yl)-1-oxopropan-2-yl]pyridazin-3-one?
The IUPAC name of 6-cyclopropyl-2-[1-(2-ethylpiperidin-1-yl)-1-oxopropan-2-yl]pyridazin-3-one (CID 122278749) is 6-cyclopropyl-2-[1-(2-ethylpiperidin-1-yl)-1-oxopropan-2-yl]pyridazin-3-one.
What is the SMILES notation for 6-cyclopropyl-2-[1-(2-ethylpiperidin-1-yl)-1-oxopropan-2-yl]pyridazin-3-one?
The canonical SMILES for 6-cyclopropyl-2-[1-(2-ethylpiperidin-1-yl)-1-oxopropan-2-yl]pyridazin-3-one is CCC1CCCCN1C(=O)C(C)n1nc(C2CC2)ccc1=O.
What is the InChIKey of 6-cyclopropyl-2-[1-(2-ethylpiperidin-1-yl)-1-oxopropan-2-yl]pyridazin-3-one?
The InChIKey is MSQKMRVFAFVRKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2/c1-3-14-6-4-5-11-19(14)17(22)12(2)20-16(21)10-9-15(18-20)13-7-8-13/h9-10,12-14H,3-8,11H2,1-2H3.
What are the key properties of 6-cyclopropyl-2-[1-(2-ethylpiperidin-1-yl)-1-oxopropan-2-yl]pyridazin-3-one?
6-cyclopropyl-2-[1-(2-ethylpiperidin-1-yl)-1-oxopropan-2-yl]pyridazin-3-one has a molecular weight of 303.41 g/mol, XLogP of 2.47, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-2-[1-(2-ethylpiperidin-1-yl)-1-oxopropan-2-yl]pyridazin-3-one is sourced from PubChem (CID 122278749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).