[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]-(1H-indazol-3-yl)methanone

C21H24N4O3 — CID 31332821

IUPAC[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]-(1H-indazol-3-yl)methanone
SMILESCOc1ccc(CN2CCN(C(=O)c3n[nH]c4ccccc34)CC2)cc1OC
InChIInChI=1S/C21H24N4O3/c1-27-18-8-7-15(13-19(18)28-2)14-24-9-11-25(12-10-24)21(26)20-16-5-3-4-6-17(16)22-23-20/h3-8,13H,9-12,14H2,1-2H3,(H,22,23)
InChIKeyHIOSMMKCJGGUBL-UHFFFAOYSA-N
MW380.45 g/mol
LogP2.54
Rot. Bonds5

About [4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]-(1H-indazol-3-yl)methanone

[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]-(1H-indazol-3-yl)methanone (PubChem CID 31332821) has the molecular formula C21H24N4O3 and a molecular weight of 380.45 g/mol. Its IUPAC name is [4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]-(1H-indazol-3-yl)methanone.

Molecular Properties

Compound Name[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]-(1H-indazol-3-yl)methanone
PubChem CID31332821
Molecular FormulaC21H24N4O3
Molecular Weight380.45 g/mol
Exact Mass380.18
IUPAC Name[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]-(1H-indazol-3-yl)methanone
SMILESCOc1ccc(CN2CCN(C(=O)c3n[nH]c4ccccc34)CC2)cc1OC
InChIInChI=1S/C21H24N4O3/c1-27-18-8-7-15(13-19(18)28-2)14-24-9-11-25(12-10-24)21(26)20-16-5-3-4-6-17(16)22-23-20/h3-8,13H,9-12,14H2,1-2H3,(H,22,23)
InChIKeyHIOSMMKCJGGUBL-UHFFFAOYSA-N
XLogP2.54
TPSA70.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(1H-indazol-3-yl)methanone
CID 2474731
1H-indazol-3-yl-[4-[(4-methylphenyl)methyl]-1,4-diazepan-1-yl]methanone
CID 30951232
1H-indazol-3-yl-[4-[2-(4-methoxyphenyl)ethyl]piperazin-1-yl]methanone
CID 60595450
[4-(1H-indazole-3-carbonyl)piperazin-1-yl]-(1H-indazol-3-yl)methanone
CID 170858800
4-[4-[(3,4-dimethoxyphenyl)methyl]piperazine-1-carbonyl]-1-methylquinolin-2-one
CID 55789518
1H-indazol-3-yl-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone
CID 9021232
1H-indazol-3-yl-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]methanone
CID 37358947
1H-indazol-3-yl-[4-(2-methoxyphenoxy)piperidin-1-yl]methanone
CID 70783899
(3,6-dichloro-2-pyridinyl)-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]methanone
CID 39952378
(2,6-dimethoxyphenyl)-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]methanone;oxalic acid
CID 17366613
(1-benzylpyrazol-4-yl)-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]methanone
CID 9474985
(2-anilinophenyl)-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]methanone
CID 39457794

Frequently Asked Questions

What is the IUPAC name of [4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]-(1H-indazol-3-yl)methanone?
The IUPAC name of [4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]-(1H-indazol-3-yl)methanone (CID 31332821) is [4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]-(1H-indazol-3-yl)methanone.
What is the SMILES notation for [4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]-(1H-indazol-3-yl)methanone?
The canonical SMILES for [4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]-(1H-indazol-3-yl)methanone is COc1ccc(CN2CCN(C(=O)c3n[nH]c4ccccc34)CC2)cc1OC.
What is the InChIKey of [4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]-(1H-indazol-3-yl)methanone?
The InChIKey is HIOSMMKCJGGUBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O3/c1-27-18-8-7-15(13-19(18)28-2)14-24-9-11-25(12-10-24)21(26)20-16-5-3-4-6-17(16)22-23-20/h3-8,13H,9-12,14H2,1-2H3,(H,22,23).
What are the key properties of [4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]-(1H-indazol-3-yl)methanone?
[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]-(1H-indazol-3-yl)methanone has a molecular weight of 380.45 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]-(1H-indazol-3-yl)methanone is sourced from PubChem (CID 31332821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).