6-[4-[2-(4-methylphenyl)ethyl]piperidine-1-carbonyl]-2-propylpyridazin-3-one

C22H29N3O2 — CID 55466009

IUPAC6-[4-[2-(4-methylphenyl)ethyl]piperidine-1-carbonyl]-2-propylpyridazin-3-one
SMILESCCCn1nc(C(=O)N2CCC(CCc3ccc(C)cc3)CC2)ccc1=O
InChIInChI=1S/C22H29N3O2/c1-3-14-25-21(26)11-10-20(23-25)22(27)24-15-12-19(13-16-24)9-8-18-6-4-17(2)5-7-18/h4-7,10-11,19H,3,8-9,12-16H2,1-2H3
InChIKeyCDQIGVPFSVKPLE-UHFFFAOYSA-N
MW367.49 g/mol
LogP3.45
Rot. Bonds6

About 6-[4-[2-(4-methylphenyl)ethyl]piperidine-1-carbonyl]-2-propylpyridazin-3-one

6-[4-[2-(4-methylphenyl)ethyl]piperidine-1-carbonyl]-2-propylpyridazin-3-one (PubChem CID 55466009) has the molecular formula C22H29N3O2 and a molecular weight of 367.49 g/mol. Its IUPAC name is 6-[4-[2-(4-methylphenyl)ethyl]piperidine-1-carbonyl]-2-propylpyridazin-3-one.

Molecular Properties

Compound Name6-[4-[2-(4-methylphenyl)ethyl]piperidine-1-carbonyl]-2-propylpyridazin-3-one
PubChem CID55466009
Molecular FormulaC22H29N3O2
Molecular Weight367.49 g/mol
Exact Mass367.23
IUPAC Name6-[4-[2-(4-methylphenyl)ethyl]piperidine-1-carbonyl]-2-propylpyridazin-3-one
SMILESCCCn1nc(C(=O)N2CCC(CCc3ccc(C)cc3)CC2)ccc1=O
InChIInChI=1S/C22H29N3O2/c1-3-14-25-21(26)11-10-20(23-25)22(27)24-15-12-19(13-16-24)9-8-18-6-4-17(2)5-7-18/h4-7,10-11,19H,3,8-9,12-16H2,1-2H3
InChIKeyCDQIGVPFSVKPLE-UHFFFAOYSA-N
XLogP3.45
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[4-[2-(4-methylphenyl)ethyl]piperidine-1-carbonyl]-2-propylphthalazin-1-one
CID 24567052
6-(4-benzoylpiperidine-1-carbonyl)-2-propylpyridazin-3-one
CID 18143303
2-[1-(6-oxo-1-propylpyridazine-3-carbonyl)azetidin-3-yl]acetic acid
CID 64603756
6-(3-hydroxyazetidine-1-carbonyl)-2-propylpyridazin-3-one
CID 63106592
N-[1-(6-oxo-1-propylpyridazine-3-carbonyl)piperidin-4-yl]benzenesulfonamide
CID 33161659
N-[(4-methylphenyl)methyl]-6-oxo-1-propylpyridazine-3-carboxamide
CID 18105453
2-methyl-5-[4-[2-(4-methylphenyl)ethyl]piperidine-1-carbonyl]isoindole-1,3-dione
CID 46679856
1-(6-oxo-1-propylpyridazine-3-carbonyl)piperidine-3-carboxamide
CID 78784806
2-butyl-6-[4-(4-hydroxyphenyl)piperidine-1-carbonyl]pyridazin-3-one
CID 51327458
6-[4-(3-fluoro-4-methylbenzoyl)piperazine-1-carbonyl]-2-propylpyridazin-3-one
CID 55879910
6-[2-(2-hydroxypropan-2-yl)pyrrolidine-1-carbonyl]-2-propylpyridazin-3-one
CID 75431167
2-[1-(1-butyl-6-oxopyridazine-3-carbonyl)azetidin-3-yl]acetic acid
CID 64604161

Frequently Asked Questions

What is the IUPAC name of 6-[4-[2-(4-methylphenyl)ethyl]piperidine-1-carbonyl]-2-propylpyridazin-3-one?
The IUPAC name of 6-[4-[2-(4-methylphenyl)ethyl]piperidine-1-carbonyl]-2-propylpyridazin-3-one (CID 55466009) is 6-[4-[2-(4-methylphenyl)ethyl]piperidine-1-carbonyl]-2-propylpyridazin-3-one.
What is the SMILES notation for 6-[4-[2-(4-methylphenyl)ethyl]piperidine-1-carbonyl]-2-propylpyridazin-3-one?
The canonical SMILES for 6-[4-[2-(4-methylphenyl)ethyl]piperidine-1-carbonyl]-2-propylpyridazin-3-one is CCCn1nc(C(=O)N2CCC(CCc3ccc(C)cc3)CC2)ccc1=O.
What is the InChIKey of 6-[4-[2-(4-methylphenyl)ethyl]piperidine-1-carbonyl]-2-propylpyridazin-3-one?
The InChIKey is CDQIGVPFSVKPLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O2/c1-3-14-25-21(26)11-10-20(23-25)22(27)24-15-12-19(13-16-24)9-8-18-6-4-17(2)5-7-18/h4-7,10-11,19H,3,8-9,12-16H2,1-2H3.
What are the key properties of 6-[4-[2-(4-methylphenyl)ethyl]piperidine-1-carbonyl]-2-propylpyridazin-3-one?
6-[4-[2-(4-methylphenyl)ethyl]piperidine-1-carbonyl]-2-propylpyridazin-3-one has a molecular weight of 367.49 g/mol, XLogP of 3.45, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[2-(4-methylphenyl)ethyl]piperidine-1-carbonyl]-2-propylpyridazin-3-one is sourced from PubChem (CID 55466009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).