6-cyclopropyl-2-[[1-(4,5,6,7-tetrahydro-1,2-benzoxazole-3-carbonyl)piperidin-4-yl]methyl]pyridazin-3-one

C21H26N4O3 — CID 126865162

IUPAC6-cyclopropyl-2-[[1-(4,5,6,7-tetrahydro-1,2-benzoxazole-3-carbonyl)piperidin-4-yl]methyl]pyridazin-3-one
SMILESO=C(c1noc2c1CCCC2)N1CCC(Cn2nc(C3CC3)ccc2=O)CC1
InChIInChI=1S/C21H26N4O3/c26-19-8-7-17(15-5-6-15)22-25(19)13-14-9-11-24(12-10-14)21(27)20-16-3-1-2-4-18(16)28-23-20/h7-8,14-15H,1-6,9-13H2
InChIKeyQQGHMXKETVNCDB-UHFFFAOYSA-N
MW382.46 g/mol
LogP2.54
Rot. Bonds4

About 6-cyclopropyl-2-[[1-(4,5,6,7-tetrahydro-1,2-benzoxazole-3-carbonyl)piperidin-4-yl]methyl]pyridazin-3-one

6-cyclopropyl-2-[[1-(4,5,6,7-tetrahydro-1,2-benzoxazole-3-carbonyl)piperidin-4-yl]methyl]pyridazin-3-one (PubChem CID 126865162) has the molecular formula C21H26N4O3 and a molecular weight of 382.46 g/mol. Its IUPAC name is 6-cyclopropyl-2-[[1-(4,5,6,7-tetrahydro-1,2-benzoxazole-3-carbonyl)piperidin-4-yl]methyl]pyridazin-3-one.

Molecular Properties

Compound Name6-cyclopropyl-2-[[1-(4,5,6,7-tetrahydro-1,2-benzoxazole-3-carbonyl)piperidin-4-yl]methyl]pyridazin-3-one
PubChem CID126865162
Molecular FormulaC21H26N4O3
Molecular Weight382.46 g/mol
Exact Mass382.20
IUPAC Name6-cyclopropyl-2-[[1-(4,5,6,7-tetrahydro-1,2-benzoxazole-3-carbonyl)piperidin-4-yl]methyl]pyridazin-3-one
SMILESO=C(c1noc2c1CCCC2)N1CCC(Cn2nc(C3CC3)ccc2=O)CC1
InChIInChI=1S/C21H26N4O3/c26-19-8-7-17(15-5-6-15)22-25(19)13-14-9-11-24(12-10-14)21(27)20-16-3-1-2-4-18(16)28-23-20/h7-8,14-15H,1-6,9-13H2
InChIKeyQQGHMXKETVNCDB-UHFFFAOYSA-N
XLogP2.54
TPSA81.23 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 ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 6-cyclopropyl-2-[[1-(4,5,6,7-tetrahydro-1,2-benzoxazole-3-carbonyl)piperidin-4-yl]methyl]pyridazin-3-one with MolForge

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Related Compounds

6-cyclopropyl-2-[[1-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carbonyl)piperidin-4-yl]methyl]pyridazin-3-one
CID 126865159
6-cyclopropyl-2-[[1-(2-oxo-1H-pyridine-3-carbonyl)piperidin-4-yl]methyl]pyridazin-3-one
CID 126865168
2-[[1-(1-benzofuran-2-carbonyl)piperidin-4-yl]methyl]-6-cyclopropylpyridazin-3-one
CID 126865130
6-cyclopropyl-2-[[1-(2-methyl-1,3-thiazole-4-carbonyl)piperidin-4-yl]methyl]pyridazin-3-one
CID 126865169
N-[4-(3-cyclopropyl-6-oxopyridazin-1-yl)cyclohexyl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
CID 126934947
1-morpholin-4-yl-3-[1-(4,5,6,7-tetrahydro-1,2-benzoxazole-3-carbonyl)piperidin-4-yl]propan-1-one
CID 28735827
6-[1-(4,5,6,7-tetrahydro-1,2-benzoxazole-3-carbonyl)piperidin-3-yl]-1H-pyrimidin-2-one
CID 110115129
6-[(3R)-1-(4,5,6,7-tetrahydro-1,2-benzoxazole-3-carbonyl)piperidin-3-yl]-1H-pyrimidin-2-one
CID 124988426
6-cyclopropyl-2-[[1-(1H-indole-2-carbonyl)piperidin-4-yl]methyl]pyridazin-3-one
CID 126865122
6-cyclopropyl-2-[[1-(2-piperidin-1-ylethyl)piperidin-4-yl]methyl]pyridazin-3-one
CID 126865258
2-[[1-[2-(azepan-1-yl)ethyl]piperidin-4-yl]methyl]-6-cyclopropylpyridazin-3-one
CID 126865313
[4-(1-methylpyrazol-4-yl)piperidin-1-yl]-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)methanone
CID 166211367

Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-2-[[1-(4,5,6,7-tetrahydro-1,2-benzoxazole-3-carbonyl)piperidin-4-yl]methyl]pyridazin-3-one?
The IUPAC name of 6-cyclopropyl-2-[[1-(4,5,6,7-tetrahydro-1,2-benzoxazole-3-carbonyl)piperidin-4-yl]methyl]pyridazin-3-one (CID 126865162) is 6-cyclopropyl-2-[[1-(4,5,6,7-tetrahydro-1,2-benzoxazole-3-carbonyl)piperidin-4-yl]methyl]pyridazin-3-one.
What is the SMILES notation for 6-cyclopropyl-2-[[1-(4,5,6,7-tetrahydro-1,2-benzoxazole-3-carbonyl)piperidin-4-yl]methyl]pyridazin-3-one?
The canonical SMILES for 6-cyclopropyl-2-[[1-(4,5,6,7-tetrahydro-1,2-benzoxazole-3-carbonyl)piperidin-4-yl]methyl]pyridazin-3-one is O=C(c1noc2c1CCCC2)N1CCC(Cn2nc(C3CC3)ccc2=O)CC1.
What is the InChIKey of 6-cyclopropyl-2-[[1-(4,5,6,7-tetrahydro-1,2-benzoxazole-3-carbonyl)piperidin-4-yl]methyl]pyridazin-3-one?
The InChIKey is QQGHMXKETVNCDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O3/c26-19-8-7-17(15-5-6-15)22-25(19)13-14-9-11-24(12-10-14)21(27)20-16-3-1-2-4-18(16)28-23-20/h7-8,14-15H,1-6,9-13H2.
What are the key properties of 6-cyclopropyl-2-[[1-(4,5,6,7-tetrahydro-1,2-benzoxazole-3-carbonyl)piperidin-4-yl]methyl]pyridazin-3-one?
6-cyclopropyl-2-[[1-(4,5,6,7-tetrahydro-1,2-benzoxazole-3-carbonyl)piperidin-4-yl]methyl]pyridazin-3-one has a molecular weight of 382.46 g/mol, XLogP of 2.54, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-2-[[1-(4,5,6,7-tetrahydro-1,2-benzoxazole-3-carbonyl)piperidin-4-yl]methyl]pyridazin-3-one is sourced from PubChem (CID 126865162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).