(3-ethyl-6-methylpyridazin-4-yl)-[2-(2-hydroxypropyl)piperidin-1-yl]methanone

C16H25N3O2 — CID 104671210

IUPAC(3-ethyl-6-methylpyridazin-4-yl)-[2-(2-hydroxypropyl)piperidin-1-yl]methanone
SMILESCCc1nnc(C)cc1C(=O)N1CCCCC1CC(C)O
InChIInChI=1S/C16H25N3O2/c1-4-15-14(9-11(2)17-18-15)16(21)19-8-6-5-7-13(19)10-12(3)20/h9,12-13,20H,4-8,10H2,1-3H3
InChIKeyICLOOZUPCGEFJK-UHFFFAOYSA-N
MW291.39 g/mol
LogP2.11
Rot. Bonds4

About (3-ethyl-6-methylpyridazin-4-yl)-[2-(2-hydroxypropyl)piperidin-1-yl]methanone

(3-ethyl-6-methylpyridazin-4-yl)-[2-(2-hydroxypropyl)piperidin-1-yl]methanone (PubChem CID 104671210) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is (3-ethyl-6-methylpyridazin-4-yl)-[2-(2-hydroxypropyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3-ethyl-6-methylpyridazin-4-yl)-[2-(2-hydroxypropyl)piperidin-1-yl]methanone
PubChem CID104671210
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC Name(3-ethyl-6-methylpyridazin-4-yl)-[2-(2-hydroxypropyl)piperidin-1-yl]methanone
SMILESCCc1nnc(C)cc1C(=O)N1CCCCC1CC(C)O
InChIInChI=1S/C16H25N3O2/c1-4-15-14(9-11(2)17-18-15)16(21)19-8-6-5-7-13(19)10-12(3)20/h9,12-13,20H,4-8,10H2,1-3H3
InChIKeyICLOOZUPCGEFJK-UHFFFAOYSA-N
XLogP2.11
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(aminomethyl)pyrrolidin-1-yl]-(3-ethyl-6-methylpyridazin-4-yl)methanone
CID 104671716
[2-(3-aminopropyl)pyrrolidin-1-yl]-(3-ethyl-6-methylpyridazin-4-yl)methanone
CID 104672847
[2-(aminomethyl)piperazin-1-yl]-(3-ethyl-6-methylpyridazin-4-yl)methanone
CID 104669016
(2-chlorofuran-3-yl)-[2-(2-hydroxypropyl)azepan-1-yl]methanone
CID 112748131
[2-(2-hydroxypropyl)azepan-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 79552839
[2-(2-hydroxypropyl)azepan-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 79560105
(5-fluoro-2-methylphenyl)-[2-(2-hydroxypropyl)azepan-1-yl]methanone
CID 79540818
(2,4-difluorophenyl)-[2-(2-hydroxypropyl)piperidin-1-yl]methanone
CID 79549414
2-[4-(3-ethyl-6-methylpyridazine-4-carbonyl)morpholin-3-yl]acetic acid
CID 104669843
1-(3-ethyl-6-methylpyridazine-4-carbonyl)piperidine-3-carbothioamide
CID 104670482
(4-fluoro-2-hydroxyphenyl)-[2-(2-hydroxypropyl)piperidin-1-yl]methanone
CID 107015756
(3,5-dihydroxyphenyl)-[2-(2-hydroxypropyl)azepan-1-yl]methanone
CID 107704806

Frequently Asked Questions

What is the IUPAC name of (3-ethyl-6-methylpyridazin-4-yl)-[2-(2-hydroxypropyl)piperidin-1-yl]methanone?
The IUPAC name of (3-ethyl-6-methylpyridazin-4-yl)-[2-(2-hydroxypropyl)piperidin-1-yl]methanone (CID 104671210) is (3-ethyl-6-methylpyridazin-4-yl)-[2-(2-hydroxypropyl)piperidin-1-yl]methanone.
What is the SMILES notation for (3-ethyl-6-methylpyridazin-4-yl)-[2-(2-hydroxypropyl)piperidin-1-yl]methanone?
The canonical SMILES for (3-ethyl-6-methylpyridazin-4-yl)-[2-(2-hydroxypropyl)piperidin-1-yl]methanone is CCc1nnc(C)cc1C(=O)N1CCCCC1CC(C)O.
What is the InChIKey of (3-ethyl-6-methylpyridazin-4-yl)-[2-(2-hydroxypropyl)piperidin-1-yl]methanone?
The InChIKey is ICLOOZUPCGEFJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-4-15-14(9-11(2)17-18-15)16(21)19-8-6-5-7-13(19)10-12(3)20/h9,12-13,20H,4-8,10H2,1-3H3.
What are the key properties of (3-ethyl-6-methylpyridazin-4-yl)-[2-(2-hydroxypropyl)piperidin-1-yl]methanone?
(3-ethyl-6-methylpyridazin-4-yl)-[2-(2-hydroxypropyl)piperidin-1-yl]methanone has a molecular weight of 291.39 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethyl-6-methylpyridazin-4-yl)-[2-(2-hydroxypropyl)piperidin-1-yl]methanone is sourced from PubChem (CID 104671210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).