5-(azetidin-1-yl)-2-[1-[2-(3-propan-2-yloxyphenyl)acetyl]piperidin-3-yl]pyridazin-3-one

C23H30N4O3 — CID 128970455

IUPAC5-(azetidin-1-yl)-2-[1-[2-(3-propan-2-yloxyphenyl)acetyl]piperidin-3-yl]pyridazin-3-one
SMILESCC(C)Oc1cccc(CC(=O)N2CCCC(n3ncc(N4CCC4)cc3=O)C2)c1
InChIInChI=1S/C23H30N4O3/c1-17(2)30-21-8-3-6-18(12-21)13-22(28)26-9-4-7-19(16-26)27-23(29)14-20(15-24-27)25-10-5-11-25/h3,6,8,12,14-15,17,19H,4-5,7,9-11,13,16H2,1-2H3
InChIKeyDGINYYCRGNKXTN-UHFFFAOYSA-N
MW410.52 g/mol
LogP2.65
Rot. Bonds6

About 5-(azetidin-1-yl)-2-[1-[2-(3-propan-2-yloxyphenyl)acetyl]piperidin-3-yl]pyridazin-3-one

5-(azetidin-1-yl)-2-[1-[2-(3-propan-2-yloxyphenyl)acetyl]piperidin-3-yl]pyridazin-3-one (PubChem CID 128970455) has the molecular formula C23H30N4O3 and a molecular weight of 410.52 g/mol. Its IUPAC name is 5-(azetidin-1-yl)-2-[1-[2-(3-propan-2-yloxyphenyl)acetyl]piperidin-3-yl]pyridazin-3-one.

Molecular Properties

Compound Name5-(azetidin-1-yl)-2-[1-[2-(3-propan-2-yloxyphenyl)acetyl]piperidin-3-yl]pyridazin-3-one
PubChem CID128970455
Molecular FormulaC23H30N4O3
Molecular Weight410.52 g/mol
Exact Mass410.23
IUPAC Name5-(azetidin-1-yl)-2-[1-[2-(3-propan-2-yloxyphenyl)acetyl]piperidin-3-yl]pyridazin-3-one
SMILESCC(C)Oc1cccc(CC(=O)N2CCCC(n3ncc(N4CCC4)cc3=O)C2)c1
InChIInChI=1S/C23H30N4O3/c1-17(2)30-21-8-3-6-18(12-21)13-22(28)26-9-4-7-19(16-26)27-23(29)14-20(15-24-27)25-10-5-11-25/h3,6,8,12,14-15,17,19H,4-5,7,9-11,13,16H2,1-2H3
InChIKeyDGINYYCRGNKXTN-UHFFFAOYSA-N
XLogP2.65
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.52
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-(azetidin-1-yl)-2-[1-[2-(3-propan-2-yloxyphenyl)acetyl]piperidin-3-yl]pyridazin-3-one with MolForge

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Related Compounds

(3S)-1-[2-(3-propan-2-yloxyphenyl)acetyl]piperidine-3-carboxylic acid
CID 119173861
5-(azetidin-1-yl)-2-[1-(2-indazol-1-ylacetyl)piperidin-3-yl]pyridazin-3-one
CID 128974471
5-(azetidin-1-yl)-2-[(3S)-1-(2-indazol-1-ylacetyl)piperidin-3-yl]pyridazin-3-one
CID 129325110
1-[(9aR)-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl]-2-[3-(difluoromethoxy)phenyl]ethanone
CID 95333960
5-[(3S)-3-hydroxypyrrolidin-1-yl]-2-[(3R)-1-[2-(2-methylphenyl)acetyl]piperidin-3-yl]pyridazin-3-one
CID 129323569
5-[(3S)-3-hydroxypyrrolidin-1-yl]-2-[(3R)-1-[(3-methoxyphenyl)methyl]piperidin-3-yl]pyridazin-3-one
CID 129323751
2-[3-[4-(azetidin-1-yl)-6-oxopyridazin-1-yl]piperidine-1-carbonyl]benzonitrile
CID 128974403
2-[(3S)-3-[4-(azetidin-1-yl)-6-oxopyridazin-1-yl]piperidine-1-carbonyl]benzonitrile
CID 129323756
5-[2-methoxyethyl(methyl)amino]-2-[1-[(3-propan-2-yloxyphenyl)methyl]piperidin-3-yl]pyridazin-3-one
CID 128970049
1-[4-(1-aminoethyl)piperidin-1-yl]-2-(3-propan-2-yloxyphenyl)ethanone
CID 119517535
5-(azetidin-1-yl)-2-[(3S)-1-(isoquinoline-4-carbonyl)piperidin-3-yl]pyridazin-3-one
CID 129324152
5-(azetidin-1-yl)-2-[(3S)-1-(2-phenyltriazole-4-carbonyl)piperidin-3-yl]pyridazin-3-one
CID 129323859

Frequently Asked Questions

What is the IUPAC name of 5-(azetidin-1-yl)-2-[1-[2-(3-propan-2-yloxyphenyl)acetyl]piperidin-3-yl]pyridazin-3-one?
The IUPAC name of 5-(azetidin-1-yl)-2-[1-[2-(3-propan-2-yloxyphenyl)acetyl]piperidin-3-yl]pyridazin-3-one (CID 128970455) is 5-(azetidin-1-yl)-2-[1-[2-(3-propan-2-yloxyphenyl)acetyl]piperidin-3-yl]pyridazin-3-one.
What is the SMILES notation for 5-(azetidin-1-yl)-2-[1-[2-(3-propan-2-yloxyphenyl)acetyl]piperidin-3-yl]pyridazin-3-one?
The canonical SMILES for 5-(azetidin-1-yl)-2-[1-[2-(3-propan-2-yloxyphenyl)acetyl]piperidin-3-yl]pyridazin-3-one is CC(C)Oc1cccc(CC(=O)N2CCCC(n3ncc(N4CCC4)cc3=O)C2)c1.
What is the InChIKey of 5-(azetidin-1-yl)-2-[1-[2-(3-propan-2-yloxyphenyl)acetyl]piperidin-3-yl]pyridazin-3-one?
The InChIKey is DGINYYCRGNKXTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O3/c1-17(2)30-21-8-3-6-18(12-21)13-22(28)26-9-4-7-19(16-26)27-23(29)14-20(15-24-27)25-10-5-11-25/h3,6,8,12,14-15,17,19H,4-5,7,9-11,13,16H2,1-2H3.
What are the key properties of 5-(azetidin-1-yl)-2-[1-[2-(3-propan-2-yloxyphenyl)acetyl]piperidin-3-yl]pyridazin-3-one?
5-(azetidin-1-yl)-2-[1-[2-(3-propan-2-yloxyphenyl)acetyl]piperidin-3-yl]pyridazin-3-one has a molecular weight of 410.52 g/mol, XLogP of 2.65, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(azetidin-1-yl)-2-[1-[2-(3-propan-2-yloxyphenyl)acetyl]piperidin-3-yl]pyridazin-3-one is sourced from PubChem (CID 128970455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).