[(2R,5R)-4-ethyl-2,5-dimethylpiperazin-1-yl]-(1H-indazol-3-yl)methanone

C16H22N4O — CID 124732884

IUPAC[(2R,5R)-4-ethyl-2,5-dimethylpiperazin-1-yl]-(1H-indazol-3-yl)methanone
SMILESCCN1C[C@@H](C)N(C(=O)c2n[nH]c3ccccc23)C[C@H]1C
InChIInChI=1S/C16H22N4O/c1-4-19-9-12(3)20(10-11(19)2)16(21)15-13-7-5-6-8-14(13)17-18-15/h5-8,11-12H,4,9-10H2,1-3H3,(H,17,18)/t11-,12-/m1/s1
InChIKeyKAAWEISRNFFMRM-VXGBXAGGSA-N
MW286.38 g/mol
LogP2.12
Rot. Bonds2

About [(2R,5R)-4-ethyl-2,5-dimethylpiperazin-1-yl]-(1H-indazol-3-yl)methanone

[(2R,5R)-4-ethyl-2,5-dimethylpiperazin-1-yl]-(1H-indazol-3-yl)methanone (PubChem CID 124732884) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is [(2R,5R)-4-ethyl-2,5-dimethylpiperazin-1-yl]-(1H-indazol-3-yl)methanone.

Molecular Properties

Compound Name[(2R,5R)-4-ethyl-2,5-dimethylpiperazin-1-yl]-(1H-indazol-3-yl)methanone
PubChem CID124732884
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name[(2R,5R)-4-ethyl-2,5-dimethylpiperazin-1-yl]-(1H-indazol-3-yl)methanone
SMILESCCN1C[C@@H](C)N(C(=O)c2n[nH]c3ccccc23)C[C@H]1C
InChIInChI=1S/C16H22N4O/c1-4-19-9-12(3)20(10-11(19)2)16(21)15-13-7-5-6-8-14(13)17-18-15/h5-8,11-12H,4,9-10H2,1-3H3,(H,17,18)/t11-,12-/m1/s1
InChIKeyKAAWEISRNFFMRM-VXGBXAGGSA-N
XLogP2.12
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-(1H-indazol-3-yl)methanone
CID 81219563
(3,5-dimethylpiperazin-1-yl)-(1H-indazol-3-yl)methanone
CID 63873666
1H-indazol-3-yl-(3-methyl-1,4-oxazepan-4-yl)methanone
CID 146091978
1H-indazol-3-yl-(5-methyl-2,5-diazabicyclo[2.2.2]octan-2-yl)methanone
CID 59749066
1H-indazol-3-yl-(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)methanone
CID 69289285
2,5-diazabicyclo[2.2.2]octan-2-yl(1H-indazol-3-yl)methanone
CID 11161171
(3,4-dimethylpiperazin-1-yl)-(1H-indazol-3-yl)methanone
CID 64982606
[(3R,5S)-3,5-dimethyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]-(1H-indazol-3-yl)methanone
CID 136587995
2,5-diazabicyclo[2.2.1]heptan-2-yl(1H-indazol-3-yl)methanone
CID 69289370
[4-(1H-indazole-3-carbonyl)piperazin-1-yl]-(1H-indazol-3-yl)methanone
CID 170858800
(2S)-4-hydroxy-1-(1H-indazole-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 61151942
[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-(1H-indazol-3-yl)methanone;hydrochloride
CID 66932254

Frequently Asked Questions

What is the IUPAC name of [(2R,5R)-4-ethyl-2,5-dimethylpiperazin-1-yl]-(1H-indazol-3-yl)methanone?
The IUPAC name of [(2R,5R)-4-ethyl-2,5-dimethylpiperazin-1-yl]-(1H-indazol-3-yl)methanone (CID 124732884) is [(2R,5R)-4-ethyl-2,5-dimethylpiperazin-1-yl]-(1H-indazol-3-yl)methanone.
What is the SMILES notation for [(2R,5R)-4-ethyl-2,5-dimethylpiperazin-1-yl]-(1H-indazol-3-yl)methanone?
The canonical SMILES for [(2R,5R)-4-ethyl-2,5-dimethylpiperazin-1-yl]-(1H-indazol-3-yl)methanone is CCN1C[C@@H](C)N(C(=O)c2n[nH]c3ccccc23)C[C@H]1C.
What is the InChIKey of [(2R,5R)-4-ethyl-2,5-dimethylpiperazin-1-yl]-(1H-indazol-3-yl)methanone?
The InChIKey is KAAWEISRNFFMRM-VXGBXAGGSA-N. The full InChI is InChI=1S/C16H22N4O/c1-4-19-9-12(3)20(10-11(19)2)16(21)15-13-7-5-6-8-14(13)17-18-15/h5-8,11-12H,4,9-10H2,1-3H3,(H,17,18)/t11-,12-/m1/s1.
What are the key properties of [(2R,5R)-4-ethyl-2,5-dimethylpiperazin-1-yl]-(1H-indazol-3-yl)methanone?
[(2R,5R)-4-ethyl-2,5-dimethylpiperazin-1-yl]-(1H-indazol-3-yl)methanone has a molecular weight of 286.38 g/mol, XLogP of 2.12, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,5R)-4-ethyl-2,5-dimethylpiperazin-1-yl]-(1H-indazol-3-yl)methanone is sourced from PubChem (CID 124732884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).