1-(1-ethylindazol-3-yl)-3-piperidin-4-ylpropan-2-one

C17H23N3O — CID 116560043

IUPAC1-(1-ethylindazol-3-yl)-3-piperidin-4-ylpropan-2-one
SMILESCCn1nc(CC(=O)CC2CCNCC2)c2ccccc21
InChIInChI=1S/C17H23N3O/c1-2-20-17-6-4-3-5-15(17)16(19-20)12-14(21)11-13-7-9-18-10-8-13/h3-6,13,18H,2,7-12H2,1H3
InChIKeyPCUOYLICPFTORX-UHFFFAOYSA-N
MW285.39 g/mol
LogP2.56
Rot. Bonds5

About 1-(1-ethylindazol-3-yl)-3-piperidin-4-ylpropan-2-one

1-(1-ethylindazol-3-yl)-3-piperidin-4-ylpropan-2-one (PubChem CID 116560043) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 1-(1-ethylindazol-3-yl)-3-piperidin-4-ylpropan-2-one.

Molecular Properties

Compound Name1-(1-ethylindazol-3-yl)-3-piperidin-4-ylpropan-2-one
PubChem CID116560043
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name1-(1-ethylindazol-3-yl)-3-piperidin-4-ylpropan-2-one
SMILESCCn1nc(CC(=O)CC2CCNCC2)c2ccccc21
InChIInChI=1S/C17H23N3O/c1-2-20-17-6-4-3-5-15(17)16(19-20)12-14(21)11-13-7-9-18-10-8-13/h3-6,13,18H,2,7-12H2,1H3
InChIKeyPCUOYLICPFTORX-UHFFFAOYSA-N
XLogP2.56
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclopentyl-3-(1-ethylindazol-3-yl)propan-2-one
CID 114981052
1-(1-ethylindazol-3-yl)-3-(oxolan-3-yl)propan-2-one
CID 103986229
1-(cyclopentylamino)-3-(1-ethylindazol-3-yl)propan-2-one
CID 116559188
1-(1-ethylindazol-3-yl)-4-methylhexan-2-one
CID 114981110
4-amino-1-(1-ethylindazol-3-yl)-4-methylpentan-2-one
CID 116581243
1-(1-methylindazol-3-yl)-3-(thian-4-yl)propan-2-one
CID 105111089
2-[1-[(1-ethylindazol-3-yl)methyl]piperidin-4-yl]acetamide
CID 136532272
6-amino-1-(1-ethylindazol-3-yl)hexan-2-one
CID 116572138
2-(1-ethylindazol-3-yl)-1-thiomorpholin-3-ylethanone
CID 116609723
2-(1-ethylindazol-3-yl)-1-(1-methylcyclohexyl)ethanone
CID 106829628
7-amino-1-(1-ethylindazol-3-yl)heptan-2-one
CID 116550158
1-ethyl-3-[(4-fluoropiperidin-4-yl)methyl]indazole
CID 112563254

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylindazol-3-yl)-3-piperidin-4-ylpropan-2-one?
The IUPAC name of 1-(1-ethylindazol-3-yl)-3-piperidin-4-ylpropan-2-one (CID 116560043) is 1-(1-ethylindazol-3-yl)-3-piperidin-4-ylpropan-2-one.
What is the SMILES notation for 1-(1-ethylindazol-3-yl)-3-piperidin-4-ylpropan-2-one?
The canonical SMILES for 1-(1-ethylindazol-3-yl)-3-piperidin-4-ylpropan-2-one is CCn1nc(CC(=O)CC2CCNCC2)c2ccccc21.
What is the InChIKey of 1-(1-ethylindazol-3-yl)-3-piperidin-4-ylpropan-2-one?
The InChIKey is PCUOYLICPFTORX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-2-20-17-6-4-3-5-15(17)16(19-20)12-14(21)11-13-7-9-18-10-8-13/h3-6,13,18H,2,7-12H2,1H3.
What are the key properties of 1-(1-ethylindazol-3-yl)-3-piperidin-4-ylpropan-2-one?
1-(1-ethylindazol-3-yl)-3-piperidin-4-ylpropan-2-one has a molecular weight of 285.39 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylindazol-3-yl)-3-piperidin-4-ylpropan-2-one is sourced from PubChem (CID 116560043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).