[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)methanone

C20H20N4O2 — CID 146080671

IUPAC[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)methanone
SMILESO=C(c1cc2c(nn1)CCC2)N1CCCC(c2nc3ccccc3o2)C1
InChIInChI=1S/C20H20N4O2/c25-20(17-11-13-5-3-8-15(13)22-23-17)24-10-4-6-14(12-24)19-21-16-7-1-2-9-18(16)26-19/h1-2,7,9,11,14H,3-6,8,10,12H2
InChIKeyPWQZQWDSIOJHMM-UHFFFAOYSA-N
MW348.41 g/mol
LogP3.13
Rot. Bonds2

About [3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)methanone

[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)methanone (PubChem CID 146080671) has the molecular formula C20H20N4O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is [3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)methanone.

Molecular Properties

Compound Name[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)methanone
PubChem CID146080671
Molecular FormulaC20H20N4O2
Molecular Weight348.41 g/mol
Exact Mass348.16
IUPAC Name[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)methanone
SMILESO=C(c1cc2c(nn1)CCC2)N1CCCC(c2nc3ccccc3o2)C1
InChIInChI=1S/C20H20N4O2/c25-20(17-11-13-5-3-8-15(13)22-23-17)24-10-4-6-14(12-24)19-21-16-7-1-2-9-18(16)26-19/h1-2,7,9,11,14H,3-6,8,10,12H2
InChIKeyPWQZQWDSIOJHMM-UHFFFAOYSA-N
XLogP3.13
TPSA72.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(3R)-3-(1,3-benzoxazol-2-yl)piperidine-1-carbonyl]-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one
CID 99937856
2-[1-[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-1-oxopropan-2-yl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
CID 122280353
[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-(3-chlorophenyl)methanone
CID 42957516
[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-(1H-pyrazolo[5,4-b]pyridin-6-yl)methanone
CID 139599749
[3-(1,3-benzoxazol-2-yl)pyrrolidin-1-yl]-pyridin-2-ylmethanone
CID 75131651
1-[5-[(3R)-3-(1,3-benzoxazol-2-yl)piperidine-1-carbonyl]-1H-pyrrol-3-yl]ethanone
CID 38316652
[(3R)-3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-(2-methylfuran-3-yl)methanone
CID 38317016
[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-(3-methylfuran-2-yl)methanone
CID 47026887
[(3S)-3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-(5-nitrofuran-2-yl)methanone
CID 34738091
[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-(2-hydroxy-3,4-dimethylphenyl)methanone
CID 87016631
[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-(3-fluoro-5-methyl-2-pyridinyl)methanone
CID 146075115
[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-(2-pyrazol-1-ylphenyl)methanone
CID 51119873

Frequently Asked Questions

What is the IUPAC name of [3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)methanone?
The IUPAC name of [3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)methanone (CID 146080671) is [3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)methanone.
What is the SMILES notation for [3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)methanone?
The canonical SMILES for [3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)methanone is O=C(c1cc2c(nn1)CCC2)N1CCCC(c2nc3ccccc3o2)C1.
What is the InChIKey of [3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)methanone?
The InChIKey is PWQZQWDSIOJHMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2/c25-20(17-11-13-5-3-8-15(13)22-23-17)24-10-4-6-14(12-24)19-21-16-7-1-2-9-18(16)26-19/h1-2,7,9,11,14H,3-6,8,10,12H2.
What are the key properties of [3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)methanone?
[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)methanone has a molecular weight of 348.41 g/mol, XLogP of 3.13, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)methanone is sourced from PubChem (CID 146080671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).