[4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)piperazin-1-yl]-(4-phenyloxan-4-yl)methanone

C23H28N4O2 — CID 122281212

IUPAC[4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)piperazin-1-yl]-(4-phenyloxan-4-yl)methanone
SMILESO=C(N1CCN(c2cc3c(nn2)CCC3)CC1)C1(c2ccccc2)CCOCC1
InChIInChI=1S/C23H28N4O2/c28-22(23(9-15-29-16-10-23)19-6-2-1-3-7-19)27-13-11-26(12-14-27)21-17-18-5-4-8-20(18)24-25-21/h1-3,6-7,17H,4-5,8-16H2
InChIKeyNLQLWSFROJZPDB-UHFFFAOYSA-N
MW392.50 g/mol
LogP2.36
Rot. Bonds3

About [4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)piperazin-1-yl]-(4-phenyloxan-4-yl)methanone

[4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)piperazin-1-yl]-(4-phenyloxan-4-yl)methanone (PubChem CID 122281212) has the molecular formula C23H28N4O2 and a molecular weight of 392.50 g/mol. Its IUPAC name is [4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)piperazin-1-yl]-(4-phenyloxan-4-yl)methanone.

Molecular Properties

Compound Name[4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)piperazin-1-yl]-(4-phenyloxan-4-yl)methanone
PubChem CID122281212
Molecular FormulaC23H28N4O2
Molecular Weight392.50 g/mol
Exact Mass392.22
IUPAC Name[4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)piperazin-1-yl]-(4-phenyloxan-4-yl)methanone
SMILESO=C(N1CCN(c2cc3c(nn2)CCC3)CC1)C1(c2ccccc2)CCOCC1
InChIInChI=1S/C23H28N4O2/c28-22(23(9-15-29-16-10-23)19-6-2-1-3-7-19)27-13-11-26(12-14-27)21-17-18-5-4-8-20(18)24-25-21/h1-3,6-7,17H,4-5,8-16H2
InChIKeyNLQLWSFROJZPDB-UHFFFAOYSA-N
XLogP2.36
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]-(4-phenyloxan-4-yl)methanone
CID 122335188
1-[4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)piperazin-1-yl]-2,2-diphenylethanone
CID 122281267
1-[4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)piperazin-1-yl]ethanone
CID 122269137
[4-(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)piperazin-1-yl]-(4-phenyloxan-4-yl)methanone
CID 122333244
[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]piperazin-1-yl]-(4-phenyloxan-4-yl)methanone
CID 121113860
[4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)piperazin-1-yl]-(2-methylphenyl)methanone
CID 122281033
(4-phenyloxan-4-yl)-[4-[6-(pyridin-3-ylamino)pyridazin-3-yl]piperazin-1-yl]methanone
CID 122347595
[4-(4-fluorophenyl)oxan-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 91959193
[4-(2,4-dimethylphenyl)piperazin-1-yl]-(4-phenyloxan-4-yl)methanone
CID 53369928
(1-phenylcyclopentyl)-(4-phenylpiperazin-1-yl)methanone
CID 4048114
1,5-dioxa-9-azaspiro[5.5]undecan-9-yl-(4-phenyloxan-4-yl)methanone
CID 71785131
(2-fluorophenyl)-[4-(5,6,7,8-tetrahydrocinnolin-3-yl)piperazin-1-yl]methanone
CID 91632708

Frequently Asked Questions

What is the IUPAC name of [4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)piperazin-1-yl]-(4-phenyloxan-4-yl)methanone?
The IUPAC name of [4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)piperazin-1-yl]-(4-phenyloxan-4-yl)methanone (CID 122281212) is [4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)piperazin-1-yl]-(4-phenyloxan-4-yl)methanone.
What is the SMILES notation for [4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)piperazin-1-yl]-(4-phenyloxan-4-yl)methanone?
The canonical SMILES for [4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)piperazin-1-yl]-(4-phenyloxan-4-yl)methanone is O=C(N1CCN(c2cc3c(nn2)CCC3)CC1)C1(c2ccccc2)CCOCC1.
What is the InChIKey of [4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)piperazin-1-yl]-(4-phenyloxan-4-yl)methanone?
The InChIKey is NLQLWSFROJZPDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O2/c28-22(23(9-15-29-16-10-23)19-6-2-1-3-7-19)27-13-11-26(12-14-27)21-17-18-5-4-8-20(18)24-25-21/h1-3,6-7,17H,4-5,8-16H2.
What are the key properties of [4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)piperazin-1-yl]-(4-phenyloxan-4-yl)methanone?
[4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)piperazin-1-yl]-(4-phenyloxan-4-yl)methanone has a molecular weight of 392.50 g/mol, XLogP of 2.36, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)piperazin-1-yl]-(4-phenyloxan-4-yl)methanone is sourced from PubChem (CID 122281212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).