(4-methylpiperidin-1-yl)-(6-propan-2-ylpyridazin-3-yl)methanone

C14H21N3O — CID 113200329

IUPAC(4-methylpiperidin-1-yl)-(6-propan-2-ylpyridazin-3-yl)methanone
SMILESCC1CCN(C(=O)c2ccc(C(C)C)nn2)CC1
InChIInChI=1S/C14H21N3O/c1-10(2)12-4-5-13(16-15-12)14(18)17-8-6-11(3)7-9-17/h4-5,10-11H,6-9H2,1-3H3
InChIKeyVTPDLCJOSDVEMR-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.47
Rot. Bonds2

About (4-methylpiperidin-1-yl)-(6-propan-2-ylpyridazin-3-yl)methanone

(4-methylpiperidin-1-yl)-(6-propan-2-ylpyridazin-3-yl)methanone (PubChem CID 113200329) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is (4-methylpiperidin-1-yl)-(6-propan-2-ylpyridazin-3-yl)methanone.

Molecular Properties

Compound Name(4-methylpiperidin-1-yl)-(6-propan-2-ylpyridazin-3-yl)methanone
PubChem CID113200329
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name(4-methylpiperidin-1-yl)-(6-propan-2-ylpyridazin-3-yl)methanone
SMILESCC1CCN(C(=O)c2ccc(C(C)C)nn2)CC1
InChIInChI=1S/C14H21N3O/c1-10(2)12-4-5-13(16-15-12)14(18)17-8-6-11(3)7-9-17/h4-5,10-11H,6-9H2,1-3H3
InChIKeyVTPDLCJOSDVEMR-UHFFFAOYSA-N
XLogP2.47
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(6-propan-2-ylpyridazin-3-yl)-pyrrolidin-1-ylmethanone
CID 113200325
(4-methylpiperazin-1-yl)-(6-propan-2-ylpyridazin-3-yl)methanone
CID 113200335
(4-methylpiperidin-1-yl)-[6-(propan-2-ylamino)pyridazin-3-yl]methanone
CID 109109406
[6-(butan-2-ylamino)pyridazin-3-yl]-(4-methylpiperidin-1-yl)methanone
CID 109111350
(4-methylpiperidin-1-yl)-[6-(1-phenylethylamino)pyridazin-3-yl]methanone
CID 109113330
[6-(4-ethylpiperazin-1-yl)pyridazin-3-yl]-(4-methylpiperidin-1-yl)methanone
CID 109113322
(4-methylpiperidin-1-yl)-[6-(4-pyridin-2-ylpiperazin-1-yl)pyridazin-3-yl]methanone
CID 109113370
[6-(2,6-difluoroanilino)pyridazin-3-yl]-(4-methylpiperidin-1-yl)methanone
CID 109113489
[6-(3,4-dihydro-1H-isoquinolin-2-yl)pyridazin-3-yl]-(4-methylpiperidin-1-yl)methanone
CID 109113344
(6-hydrazinylpyridazin-3-yl)-(4-propan-2-ylpiperidin-1-yl)methanone
CID 103502396
[6-(3-methylanilino)pyridazin-3-yl]-(4-methylpiperidin-1-yl)methanone
CID 109113392
[6-[(2-methylphenyl)methylamino]pyridazin-3-yl]-(4-methylpiperidin-1-yl)methanone
CID 109113327

Frequently Asked Questions

What is the IUPAC name of (4-methylpiperidin-1-yl)-(6-propan-2-ylpyridazin-3-yl)methanone?
The IUPAC name of (4-methylpiperidin-1-yl)-(6-propan-2-ylpyridazin-3-yl)methanone (CID 113200329) is (4-methylpiperidin-1-yl)-(6-propan-2-ylpyridazin-3-yl)methanone.
What is the SMILES notation for (4-methylpiperidin-1-yl)-(6-propan-2-ylpyridazin-3-yl)methanone?
The canonical SMILES for (4-methylpiperidin-1-yl)-(6-propan-2-ylpyridazin-3-yl)methanone is CC1CCN(C(=O)c2ccc(C(C)C)nn2)CC1.
What is the InChIKey of (4-methylpiperidin-1-yl)-(6-propan-2-ylpyridazin-3-yl)methanone?
The InChIKey is VTPDLCJOSDVEMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-10(2)12-4-5-13(16-15-12)14(18)17-8-6-11(3)7-9-17/h4-5,10-11H,6-9H2,1-3H3.
What are the key properties of (4-methylpiperidin-1-yl)-(6-propan-2-ylpyridazin-3-yl)methanone?
(4-methylpiperidin-1-yl)-(6-propan-2-ylpyridazin-3-yl)methanone has a molecular weight of 247.34 g/mol, XLogP of 2.47, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylpiperidin-1-yl)-(6-propan-2-ylpyridazin-3-yl)methanone is sourced from PubChem (CID 113200329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).