1-[4-(1H-imidazol-5-yl)piperidin-1-yl]-2-(1H-indazol-6-yl)ethanone

C17H19N5O — CID 166204958

IUPAC1-[4-(1H-imidazol-5-yl)piperidin-1-yl]-2-(1H-indazol-6-yl)ethanone
SMILESO=C(Cc1ccc2cn[nH]c2c1)N1CCC(c2cnc[nH]2)CC1
InChIInChI=1S/C17H19N5O/c23-17(8-12-1-2-14-9-20-21-15(14)7-12)22-5-3-13(4-6-22)16-10-18-11-19-16/h1-2,7,9-11,13H,3-6,8H2,(H,18,19)(H,20,21)
InChIKeyONIUHCCZCUYVBP-UHFFFAOYSA-N
MW309.37 g/mol
LogP2.23
Rot. Bonds3

About 1-[4-(1H-imidazol-5-yl)piperidin-1-yl]-2-(1H-indazol-6-yl)ethanone

1-[4-(1H-imidazol-5-yl)piperidin-1-yl]-2-(1H-indazol-6-yl)ethanone (PubChem CID 166204958) has the molecular formula C17H19N5O and a molecular weight of 309.37 g/mol. Its IUPAC name is 1-[4-(1H-imidazol-5-yl)piperidin-1-yl]-2-(1H-indazol-6-yl)ethanone.

Molecular Properties

Compound Name1-[4-(1H-imidazol-5-yl)piperidin-1-yl]-2-(1H-indazol-6-yl)ethanone
PubChem CID166204958
Molecular FormulaC17H19N5O
Molecular Weight309.37 g/mol
Exact Mass309.16
IUPAC Name1-[4-(1H-imidazol-5-yl)piperidin-1-yl]-2-(1H-indazol-6-yl)ethanone
SMILESO=C(Cc1ccc2cn[nH]c2c1)N1CCC(c2cnc[nH]2)CC1
InChIInChI=1S/C17H19N5O/c23-17(8-12-1-2-14-9-20-21-15(14)7-12)22-5-3-13(4-6-22)16-10-18-11-19-16/h1-2,7,9-11,13H,3-6,8H2,(H,18,19)(H,20,21)
InChIKeyONIUHCCZCUYVBP-UHFFFAOYSA-N
XLogP2.23
TPSA77.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(1H-imidazol-5-yl)piperidin-1-yl]-2-(8-methylimidazo[1,2-a]pyridin-3-yl)ethanone
CID 166257543
3-cyclopentyl-1-[4-(1H-imidazol-5-yl)piperidin-1-yl]propan-1-one
CID 19097445
7-[2-(1H-indazol-6-yl)acetyl]-7-azabicyclo[2.2.1]heptane-2-carboxylic acid
CID 136549603
1-[4-(hydroxymethyl)piperidin-1-yl]-2-(1H-indol-6-yl)ethanone
CID 112531741
1H-indazol-6-ylmethyl (3R)-1-[2-(4-fluorophenyl)acetyl]piperidine-3-carboxylate
CID 96524544
2-(3,4-difluorophenyl)-1-[4-(1H-imidazol-5-ylmethoxy)piperidin-1-yl]ethanone
CID 11198440
1-[2-(1H-indazol-6-yl)acetyl]-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
CID 136535434
1-(3-aminopyrrolidin-1-yl)-2-(1H-indol-6-yl)ethanone
CID 112530782
methyl 1-[2-(1H-indol-6-yl)acetyl]piperidine-4-carboxylate
CID 112531678
1-(4-ethylpiperazin-1-yl)-2-(1H-indol-6-yl)ethanone
CID 84577281
(4-benzylpiperidin-1-yl)-(1H-indazol-6-yl)methanone
CID 46341627
N-(1H-indazol-6-yl)-2-[1-[2-(1H-indol-3-yl)acetyl]piperidin-4-yl]-1,3-thiazole-4-carboxamide
CID 23990974

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1H-imidazol-5-yl)piperidin-1-yl]-2-(1H-indazol-6-yl)ethanone?
The IUPAC name of 1-[4-(1H-imidazol-5-yl)piperidin-1-yl]-2-(1H-indazol-6-yl)ethanone (CID 166204958) is 1-[4-(1H-imidazol-5-yl)piperidin-1-yl]-2-(1H-indazol-6-yl)ethanone.
What is the SMILES notation for 1-[4-(1H-imidazol-5-yl)piperidin-1-yl]-2-(1H-indazol-6-yl)ethanone?
The canonical SMILES for 1-[4-(1H-imidazol-5-yl)piperidin-1-yl]-2-(1H-indazol-6-yl)ethanone is O=C(Cc1ccc2cn[nH]c2c1)N1CCC(c2cnc[nH]2)CC1.
What is the InChIKey of 1-[4-(1H-imidazol-5-yl)piperidin-1-yl]-2-(1H-indazol-6-yl)ethanone?
The InChIKey is ONIUHCCZCUYVBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O/c23-17(8-12-1-2-14-9-20-21-15(14)7-12)22-5-3-13(4-6-22)16-10-18-11-19-16/h1-2,7,9-11,13H,3-6,8H2,(H,18,19)(H,20,21).
What are the key properties of 1-[4-(1H-imidazol-5-yl)piperidin-1-yl]-2-(1H-indazol-6-yl)ethanone?
1-[4-(1H-imidazol-5-yl)piperidin-1-yl]-2-(1H-indazol-6-yl)ethanone has a molecular weight of 309.37 g/mol, XLogP of 2.23, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1H-imidazol-5-yl)piperidin-1-yl]-2-(1H-indazol-6-yl)ethanone is sourced from PubChem (CID 166204958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).