4-[2-(1H-indazol-5-yl)acetyl]-1,3-dimethylpiperazin-2-one

C15H18N4O2 — CID 139007551

IUPAC4-[2-(1H-indazol-5-yl)acetyl]-1,3-dimethylpiperazin-2-one
SMILESCC1C(=O)N(C)CCN1C(=O)Cc1ccc2[nH]ncc2c1
InChIInChI=1S/C15H18N4O2/c1-10-15(21)18(2)5-6-19(10)14(20)8-11-3-4-13-12(7-11)9-16-17-13/h3-4,7,9-10H,5-6,8H2,1-2H3,(H,16,17)
InChIKeyZBUCRKHOIGLRRW-UHFFFAOYSA-N
MW286.33 g/mol
LogP0.79
Rot. Bonds2

About 4-[2-(1H-indazol-5-yl)acetyl]-1,3-dimethylpiperazin-2-one

4-[2-(1H-indazol-5-yl)acetyl]-1,3-dimethylpiperazin-2-one (PubChem CID 139007551) has the molecular formula C15H18N4O2 and a molecular weight of 286.33 g/mol. Its IUPAC name is 4-[2-(1H-indazol-5-yl)acetyl]-1,3-dimethylpiperazin-2-one.

Molecular Properties

Compound Name4-[2-(1H-indazol-5-yl)acetyl]-1,3-dimethylpiperazin-2-one
PubChem CID139007551
Molecular FormulaC15H18N4O2
Molecular Weight286.33 g/mol
Exact Mass286.14
IUPAC Name4-[2-(1H-indazol-5-yl)acetyl]-1,3-dimethylpiperazin-2-one
SMILESCC1C(=O)N(C)CCN1C(=O)Cc1ccc2[nH]ncc2c1
InChIInChI=1S/C15H18N4O2/c1-10-15(21)18(2)5-6-19(10)14(20)8-11-3-4-13-12(7-11)9-16-17-13/h3-4,7,9-10H,5-6,8H2,1-2H3,(H,16,17)
InChIKeyZBUCRKHOIGLRRW-UHFFFAOYSA-N
XLogP0.79
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-(4-bromophenyl)acetyl]-1,3-dimethylpiperazin-2-one
CID 110708285
N-(2,2-dimethylcyclopentyl)-2-(1H-indazol-5-yl)acetamide
CID 119037007
(3R)-1,3-dimethyl-4-(2-phenylmethoxyacetyl)piperazin-2-one
CID 95197684
1-[2-(1H-indazol-5-yl)ethyl]-4-(sulfanylmethyl)pyrrolidin-2-one
CID 168670961
4-[3-(3-methoxyphenyl)propanoyl]-1,3-dimethylpiperazin-2-one
CID 110708267
1H-indazol-5-yl-(2-methylpiperidin-1-yl)methanone
CID 110485432
1H-indazol-5-ylmethyl 1-methylcyclopropane-1-carboxylate
CID 167800300
5-dodecyl-1H-indazole
CID 67799721
N-[2-[(1S,2S)-2-hydroxycyclohexyl]ethyl]-2-(1H-indazol-5-yl)acetamide
CID 164629485
N-benzyl-2,4-dimethyl-3-oxopiperazine-1-carboxamide
CID 110746863
5-(methoxymethyl)-1H-indazole
CID 123206066
(3S,8aR)-3-methyl-2-(2-naphthalen-2-ylacetyl)-1,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-4-one
CID 137344097

Frequently Asked Questions

What is the IUPAC name of 4-[2-(1H-indazol-5-yl)acetyl]-1,3-dimethylpiperazin-2-one?
The IUPAC name of 4-[2-(1H-indazol-5-yl)acetyl]-1,3-dimethylpiperazin-2-one (CID 139007551) is 4-[2-(1H-indazol-5-yl)acetyl]-1,3-dimethylpiperazin-2-one.
What is the SMILES notation for 4-[2-(1H-indazol-5-yl)acetyl]-1,3-dimethylpiperazin-2-one?
The canonical SMILES for 4-[2-(1H-indazol-5-yl)acetyl]-1,3-dimethylpiperazin-2-one is CC1C(=O)N(C)CCN1C(=O)Cc1ccc2[nH]ncc2c1.
What is the InChIKey of 4-[2-(1H-indazol-5-yl)acetyl]-1,3-dimethylpiperazin-2-one?
The InChIKey is ZBUCRKHOIGLRRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2/c1-10-15(21)18(2)5-6-19(10)14(20)8-11-3-4-13-12(7-11)9-16-17-13/h3-4,7,9-10H,5-6,8H2,1-2H3,(H,16,17).
What are the key properties of 4-[2-(1H-indazol-5-yl)acetyl]-1,3-dimethylpiperazin-2-one?
4-[2-(1H-indazol-5-yl)acetyl]-1,3-dimethylpiperazin-2-one has a molecular weight of 286.33 g/mol, XLogP of 0.79, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(1H-indazol-5-yl)acetyl]-1,3-dimethylpiperazin-2-one is sourced from PubChem (CID 139007551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).