(3,5-dimethylpiperazin-1-yl)-(1H-indazol-3-yl)methanone

C14H18N4O — CID 63873666

IUPAC(3,5-dimethylpiperazin-1-yl)-(1H-indazol-3-yl)methanone
SMILESCC1CN(C(=O)c2n[nH]c3ccccc23)CC(C)N1
InChIInChI=1S/C14H18N4O/c1-9-7-18(8-10(2)15-9)14(19)13-11-5-3-4-6-12(11)16-17-13/h3-6,9-10,15H,7-8H2,1-2H3,(H,16,17)
InChIKeyHWSKXRVKKAUNBI-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.39
Rot. Bonds1

About (3,5-dimethylpiperazin-1-yl)-(1H-indazol-3-yl)methanone

(3,5-dimethylpiperazin-1-yl)-(1H-indazol-3-yl)methanone (PubChem CID 63873666) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is (3,5-dimethylpiperazin-1-yl)-(1H-indazol-3-yl)methanone.

Molecular Properties

Compound Name(3,5-dimethylpiperazin-1-yl)-(1H-indazol-3-yl)methanone
PubChem CID63873666
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name(3,5-dimethylpiperazin-1-yl)-(1H-indazol-3-yl)methanone
SMILESCC1CN(C(=O)c2n[nH]c3ccccc23)CC(C)N1
InChIInChI=1S/C14H18N4O/c1-9-7-18(8-10(2)15-9)14(19)13-11-5-3-4-6-12(11)16-17-13/h3-6,9-10,15H,7-8H2,1-2H3,(H,16,17)
InChIKeyHWSKXRVKKAUNBI-UHFFFAOYSA-N
XLogP1.39
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3,4-dimethylpiperazin-1-yl)-(1H-indazol-3-yl)methanone
CID 64982606
[4-(1H-indazole-3-carbonyl)piperazin-1-yl]-(1H-indazol-3-yl)methanone
CID 170858800
[(3R,5S)-3,5-dimethyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]-(1H-indazol-3-yl)methanone
CID 136587995
1H-indazol-3-yl-[3-(methylamino)pyrrolidin-1-yl]methanone
CID 81465787
(3S,4R)-1-(1H-indazole-3-carbonyl)-4-(2-methylphenyl)pyrrolidine-3-carboxylic acid
CID 70745505
[4-(hydroxymethyl)piperidin-1-yl]-(1H-indazol-3-yl)methanone
CID 54878386
1H-indazol-3-yl-(1-methyl-3-azabicyclo[3.1.0]hexan-3-yl)methanone
CID 138387186
[(3S,4S)-3-(hydroxymethyl)-4-pyridin-2-ylpyrrolidin-1-yl]-(1H-indazol-3-yl)methanone
CID 110203400
[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-(1H-indazol-3-yl)methanone
CID 114778406
methyl 1-(1H-indazole-3-carbonyl)pyrrolidine-3-carboxylate
CID 47340273
(4-amino-3-ethylpiperidin-1-yl)-(1H-indazol-3-yl)methanone
CID 81457192
1H-indazol-3-yl-(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)methanone
CID 11681223

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethylpiperazin-1-yl)-(1H-indazol-3-yl)methanone?
The IUPAC name of (3,5-dimethylpiperazin-1-yl)-(1H-indazol-3-yl)methanone (CID 63873666) is (3,5-dimethylpiperazin-1-yl)-(1H-indazol-3-yl)methanone.
What is the SMILES notation for (3,5-dimethylpiperazin-1-yl)-(1H-indazol-3-yl)methanone?
The canonical SMILES for (3,5-dimethylpiperazin-1-yl)-(1H-indazol-3-yl)methanone is CC1CN(C(=O)c2n[nH]c3ccccc23)CC(C)N1.
What is the InChIKey of (3,5-dimethylpiperazin-1-yl)-(1H-indazol-3-yl)methanone?
The InChIKey is HWSKXRVKKAUNBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-9-7-18(8-10(2)15-9)14(19)13-11-5-3-4-6-12(11)16-17-13/h3-6,9-10,15H,7-8H2,1-2H3,(H,16,17).
What are the key properties of (3,5-dimethylpiperazin-1-yl)-(1H-indazol-3-yl)methanone?
(3,5-dimethylpiperazin-1-yl)-(1H-indazol-3-yl)methanone has a molecular weight of 258.32 g/mol, XLogP of 1.39, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethylpiperazin-1-yl)-(1H-indazol-3-yl)methanone is sourced from PubChem (CID 63873666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).