(3,4-dimethylpiperazin-1-yl)-(1H-indazol-3-yl)methanone

C14H18N4O — CID 64982606

IUPAC(3,4-dimethylpiperazin-1-yl)-(1H-indazol-3-yl)methanone
SMILESCC1CN(C(=O)c2n[nH]c3ccccc23)CCN1C
InChIInChI=1S/C14H18N4O/c1-10-9-18(8-7-17(10)2)14(19)13-11-5-3-4-6-12(11)15-16-13/h3-6,10H,7-9H2,1-2H3,(H,15,16)
InChIKeyYLZINWDEWSJTOT-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.34
Rot. Bonds1

About (3,4-dimethylpiperazin-1-yl)-(1H-indazol-3-yl)methanone

(3,4-dimethylpiperazin-1-yl)-(1H-indazol-3-yl)methanone (PubChem CID 64982606) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is (3,4-dimethylpiperazin-1-yl)-(1H-indazol-3-yl)methanone.

Molecular Properties

Compound Name(3,4-dimethylpiperazin-1-yl)-(1H-indazol-3-yl)methanone
PubChem CID64982606
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name(3,4-dimethylpiperazin-1-yl)-(1H-indazol-3-yl)methanone
SMILESCC1CN(C(=O)c2n[nH]c3ccccc23)CCN1C
InChIInChI=1S/C14H18N4O/c1-10-9-18(8-7-17(10)2)14(19)13-11-5-3-4-6-12(11)15-16-13/h3-6,10H,7-9H2,1-2H3,(H,15,16)
InChIKeyYLZINWDEWSJTOT-UHFFFAOYSA-N
XLogP1.34
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5-amino-1H-indazol-3-yl)-(3,4-dimethylpiperazin-1-yl)methanone
CID 63604993
[4-(1H-indazole-3-carbonyl)piperazin-1-yl]-(1H-indazol-3-yl)methanone
CID 170858800
(3,5-dimethylpiperazin-1-yl)-(1H-indazol-3-yl)methanone
CID 63873666
[(3S)-3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]-(1H-indazol-3-yl)methanone
CID 129328621
[(3R,5S)-3,5-dimethyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]-(1H-indazol-3-yl)methanone
CID 136587995
3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl(1H-indazol-3-yl)methanone
CID 11715985
1H-indazol-3-yl-[3-(methylamino)pyrrolidin-1-yl]methanone
CID 81465787
[(3S)-4-[2-(4-fluorophenyl)prop-2-enyl]-3-methylpiperazin-1-yl]-(1H-indazol-3-yl)methanone
CID 89271861
methyl (3S)-1-(1H-indazole-3-carbonyl)piperidine-3-carboxylate
CID 78918912
1H-indazol-3-yl-[(3S)-3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
CID 94177443
7-(1H-indazole-3-carbonyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 79094890
methyl 1-(1H-indazole-3-carbonyl)pyrrolidine-3-carboxylate
CID 47340273

Frequently Asked Questions

What is the IUPAC name of (3,4-dimethylpiperazin-1-yl)-(1H-indazol-3-yl)methanone?
The IUPAC name of (3,4-dimethylpiperazin-1-yl)-(1H-indazol-3-yl)methanone (CID 64982606) is (3,4-dimethylpiperazin-1-yl)-(1H-indazol-3-yl)methanone.
What is the SMILES notation for (3,4-dimethylpiperazin-1-yl)-(1H-indazol-3-yl)methanone?
The canonical SMILES for (3,4-dimethylpiperazin-1-yl)-(1H-indazol-3-yl)methanone is CC1CN(C(=O)c2n[nH]c3ccccc23)CCN1C.
What is the InChIKey of (3,4-dimethylpiperazin-1-yl)-(1H-indazol-3-yl)methanone?
The InChIKey is YLZINWDEWSJTOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-10-9-18(8-7-17(10)2)14(19)13-11-5-3-4-6-12(11)15-16-13/h3-6,10H,7-9H2,1-2H3,(H,15,16).
What are the key properties of (3,4-dimethylpiperazin-1-yl)-(1H-indazol-3-yl)methanone?
(3,4-dimethylpiperazin-1-yl)-(1H-indazol-3-yl)methanone has a molecular weight of 258.32 g/mol, XLogP of 1.34, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dimethylpiperazin-1-yl)-(1H-indazol-3-yl)methanone is sourced from PubChem (CID 64982606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).