1-[4-(2,3-dihydro-1H-indazol-4-yl)-2,2-dimethylpiperazin-1-yl]ethanone

C15H22N4O — CID 121326065

IUPAC1-[4-(2,3-dihydro-1H-indazol-4-yl)-2,2-dimethylpiperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(c2cccc3c2CNN3)CC1(C)C
InChIInChI=1S/C15H22N4O/c1-11(20)19-8-7-18(10-15(19,2)3)14-6-4-5-13-12(14)9-16-17-13/h4-6,16-17H,7-10H2,1-3H3
InChIKeyKKPOGDONHNYWRH-UHFFFAOYSA-N
MW274.37 g/mol
LogP1.56
Rot. Bonds1

About 1-[4-(2,3-dihydro-1H-indazol-4-yl)-2,2-dimethylpiperazin-1-yl]ethanone

1-[4-(2,3-dihydro-1H-indazol-4-yl)-2,2-dimethylpiperazin-1-yl]ethanone (PubChem CID 121326065) has the molecular formula C15H22N4O and a molecular weight of 274.37 g/mol. Its IUPAC name is 1-[4-(2,3-dihydro-1H-indazol-4-yl)-2,2-dimethylpiperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(2,3-dihydro-1H-indazol-4-yl)-2,2-dimethylpiperazin-1-yl]ethanone
PubChem CID121326065
Molecular FormulaC15H22N4O
Molecular Weight274.37 g/mol
Exact Mass274.18
IUPAC Name1-[4-(2,3-dihydro-1H-indazol-4-yl)-2,2-dimethylpiperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(c2cccc3c2CNN3)CC1(C)C
InChIInChI=1S/C15H22N4O/c1-11(20)19-8-7-18(10-15(19,2)3)14-6-4-5-13-12(14)9-16-17-13/h4-6,16-17H,7-10H2,1-3H3
InChIKeyKKPOGDONHNYWRH-UHFFFAOYSA-N
XLogP1.56
TPSA47.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethane;1-[4-(4-ethyl-2-fluorophenyl)-2,2-dimethylpiperazin-1-yl]ethanone
CID 176692915
1-[2,2-dimethyl-4-[3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)phenyl]piperazin-1-yl]ethanone
CID 141340885
1-[2-(3,3,4-trimethylpiperazin-1-yl)phenyl]ethanone
CID 63610409
5-(3,3,4-trimethylpiperazin-1-yl)-1,2,3,4-tetrahydroisoquinoline
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1-[4-(5-chloro-3-methyl-1,2-benzoxazol-7-yl)-2,2-dimethylpiperazin-1-yl]ethanone
CID 161208660
2-amino-3-(3,3,4-trimethylpiperazin-1-yl)benzoic acid
CID 115546139
2-(4-acetyl-3,3-dimethylpiperazin-1-yl)-4-(4-amino-5-chloropyrrolo[2,1-f][1,2,4]triazin-7-yl)benzonitrile
CID 130363590
[3,3-dimethyl-4-(6-phenyl-4,5-dihydro-1H-1,3-diazepine-2-carbonyl)piperazin-1-yl]-phenylmethanone
CID 123801362
ethyl 2,2-dimethyl-4-phenylpiperazine-1-carboxylate
CID 110708479
5-(4-benzoylpiperazin-1-yl)-3,4-dihydro-1H-quinolin-2-one
CID 13236332
1-[4-[6-amino-2-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]-5-methylpyrimidin-4-yl]-2,2-dimethylpiperazin-1-yl]ethanone
CID 145048041
1-(2,2,8-trimethyl-3,4-dihydroquinoxalin-1-yl)ethanone
CID 82393197

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,3-dihydro-1H-indazol-4-yl)-2,2-dimethylpiperazin-1-yl]ethanone?
The IUPAC name of 1-[4-(2,3-dihydro-1H-indazol-4-yl)-2,2-dimethylpiperazin-1-yl]ethanone (CID 121326065) is 1-[4-(2,3-dihydro-1H-indazol-4-yl)-2,2-dimethylpiperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-(2,3-dihydro-1H-indazol-4-yl)-2,2-dimethylpiperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-(2,3-dihydro-1H-indazol-4-yl)-2,2-dimethylpiperazin-1-yl]ethanone is CC(=O)N1CCN(c2cccc3c2CNN3)CC1(C)C.
What is the InChIKey of 1-[4-(2,3-dihydro-1H-indazol-4-yl)-2,2-dimethylpiperazin-1-yl]ethanone?
The InChIKey is KKPOGDONHNYWRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O/c1-11(20)19-8-7-18(10-15(19,2)3)14-6-4-5-13-12(14)9-16-17-13/h4-6,16-17H,7-10H2,1-3H3.
What are the key properties of 1-[4-(2,3-dihydro-1H-indazol-4-yl)-2,2-dimethylpiperazin-1-yl]ethanone?
1-[4-(2,3-dihydro-1H-indazol-4-yl)-2,2-dimethylpiperazin-1-yl]ethanone has a molecular weight of 274.37 g/mol, XLogP of 1.56, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,3-dihydro-1H-indazol-4-yl)-2,2-dimethylpiperazin-1-yl]ethanone is sourced from PubChem (CID 121326065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).