2-[2-[4-(3,4-dihydro-2H-chromene-3-carbonyl)piperazin-1-yl]ethyl]-6-methylpyridazin-3-one

C21H26N4O3 — CID 126913588

IUPAC2-[2-[4-(3,4-dihydro-2H-chromene-3-carbonyl)piperazin-1-yl]ethyl]-6-methylpyridazin-3-one
SMILESCc1ccc(=O)n(CCN2CCN(C(=O)C3COc4ccccc4C3)CC2)n1
InChIInChI=1S/C21H26N4O3/c1-16-6-7-20(26)25(22-16)13-10-23-8-11-24(12-9-23)21(27)18-14-17-4-2-3-5-19(17)28-15-18/h2-7,18H,8-15H2,1H3
InChIKeySSEFIXVLUYUCGO-UHFFFAOYSA-N
MW382.46 g/mol
LogP0.95
Rot. Bonds4

About 2-[2-[4-(3,4-dihydro-2H-chromene-3-carbonyl)piperazin-1-yl]ethyl]-6-methylpyridazin-3-one

2-[2-[4-(3,4-dihydro-2H-chromene-3-carbonyl)piperazin-1-yl]ethyl]-6-methylpyridazin-3-one (PubChem CID 126913588) has the molecular formula C21H26N4O3 and a molecular weight of 382.46 g/mol. Its IUPAC name is 2-[2-[4-(3,4-dihydro-2H-chromene-3-carbonyl)piperazin-1-yl]ethyl]-6-methylpyridazin-3-one.

Molecular Properties

Compound Name2-[2-[4-(3,4-dihydro-2H-chromene-3-carbonyl)piperazin-1-yl]ethyl]-6-methylpyridazin-3-one
PubChem CID126913588
Molecular FormulaC21H26N4O3
Molecular Weight382.46 g/mol
Exact Mass382.20
IUPAC Name2-[2-[4-(3,4-dihydro-2H-chromene-3-carbonyl)piperazin-1-yl]ethyl]-6-methylpyridazin-3-one
SMILESCc1ccc(=O)n(CCN2CCN(C(=O)C3COc4ccccc4C3)CC2)n1
InChIInChI=1S/C21H26N4O3/c1-16-6-7-20(26)25(22-16)13-10-23-8-11-24(12-9-23)21(27)18-14-17-4-2-3-5-19(17)28-15-18/h2-7,18H,8-15H2,1H3
InChIKeySSEFIXVLUYUCGO-UHFFFAOYSA-N
XLogP0.95
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 50.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[2-[4-(3,4-dihydro-2H-chromene-3-carbonyl)piperazin-1-yl]ethyl]-6-methylpyridazin-3-one with MolForge

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Related Compounds

[(3R)-3,4-dihydro-2H-chromen-3-yl]-morpholin-4-ylmethanone
CID 26794764
[(3R)-3,4-dihydro-2H-chromen-3-yl]-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]methanone
CID 97138813
6-methyl-2-[2-[4-(oxolane-2-carbonyl)piperazin-1-yl]ethyl]pyridazin-3-one
CID 126913559
[(3S)-3,4-dihydro-2H-chromen-3-yl]-[4-(2-methyl-4-pyridinyl)piperazin-1-yl]methanone
CID 97139467
(4-benzoylpiperazin-1-yl)-[(3S)-3,4-dihydro-2H-chromen-3-yl]methanone
CID 51925423
3,4-dihydro-2H-chromen-3-yl(piperazin-1-yl)methanone
CID 63565455
3,4-dihydro-2H-chromen-3-yl-[4-(2-hydroxyphenyl)piperazin-1-yl]methanone
CID 134022339
(4-benzylpiperazin-1-yl)-(3,4-dihydro-2H-chromen-3-yl)methanone;2,2,2-trifluoroacetic acid
CID 154885137
[(3R)-3,4-dihydro-2H-chromen-3-yl]-(4-pyridin-4-ylpiperazin-1-yl)methanone
CID 95375095
3,4-dihydro-2H-chromen-3-yl-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 63589640
6-methyl-2-[2-[4-(2-phenyltriazole-4-carbonyl)piperazin-1-yl]ethyl]pyridazin-3-one
CID 126855869
[(3S)-3,4-dihydro-2H-chromen-3-yl]-[4-(2-methyl-4-pyridinyl)-1,4-diazepan-1-yl]methanone
CID 97148569

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(3,4-dihydro-2H-chromene-3-carbonyl)piperazin-1-yl]ethyl]-6-methylpyridazin-3-one?
The IUPAC name of 2-[2-[4-(3,4-dihydro-2H-chromene-3-carbonyl)piperazin-1-yl]ethyl]-6-methylpyridazin-3-one (CID 126913588) is 2-[2-[4-(3,4-dihydro-2H-chromene-3-carbonyl)piperazin-1-yl]ethyl]-6-methylpyridazin-3-one.
What is the SMILES notation for 2-[2-[4-(3,4-dihydro-2H-chromene-3-carbonyl)piperazin-1-yl]ethyl]-6-methylpyridazin-3-one?
The canonical SMILES for 2-[2-[4-(3,4-dihydro-2H-chromene-3-carbonyl)piperazin-1-yl]ethyl]-6-methylpyridazin-3-one is Cc1ccc(=O)n(CCN2CCN(C(=O)C3COc4ccccc4C3)CC2)n1.
What is the InChIKey of 2-[2-[4-(3,4-dihydro-2H-chromene-3-carbonyl)piperazin-1-yl]ethyl]-6-methylpyridazin-3-one?
The InChIKey is SSEFIXVLUYUCGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O3/c1-16-6-7-20(26)25(22-16)13-10-23-8-11-24(12-9-23)21(27)18-14-17-4-2-3-5-19(17)28-15-18/h2-7,18H,8-15H2,1H3.
What are the key properties of 2-[2-[4-(3,4-dihydro-2H-chromene-3-carbonyl)piperazin-1-yl]ethyl]-6-methylpyridazin-3-one?
2-[2-[4-(3,4-dihydro-2H-chromene-3-carbonyl)piperazin-1-yl]ethyl]-6-methylpyridazin-3-one has a molecular weight of 382.46 g/mol, XLogP of 0.95, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(3,4-dihydro-2H-chromene-3-carbonyl)piperazin-1-yl]ethyl]-6-methylpyridazin-3-one is sourced from PubChem (CID 126913588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).