1H-indazol-3-yl-[4-[2-(4-methoxyphenyl)ethyl]piperazin-1-yl]methanone

C21H24N4O2 — CID 60595450

IUPAC1H-indazol-3-yl-[4-[2-(4-methoxyphenyl)ethyl]piperazin-1-yl]methanone
SMILESCOc1ccc(CCN2CCN(C(=O)c3n[nH]c4ccccc34)CC2)cc1
InChIInChI=1S/C21H24N4O2/c1-27-17-8-6-16(7-9-17)10-11-24-12-14-25(15-13-24)21(26)20-18-4-2-3-5-19(18)22-23-20/h2-9H,10-15H2,1H3,(H,22,23)
InChIKeyHCIWOVWYJMNWIG-UHFFFAOYSA-N
MW364.45 g/mol
LogP2.57
Rot. Bonds5

About 1H-indazol-3-yl-[4-[2-(4-methoxyphenyl)ethyl]piperazin-1-yl]methanone

1H-indazol-3-yl-[4-[2-(4-methoxyphenyl)ethyl]piperazin-1-yl]methanone (PubChem CID 60595450) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is 1H-indazol-3-yl-[4-[2-(4-methoxyphenyl)ethyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name1H-indazol-3-yl-[4-[2-(4-methoxyphenyl)ethyl]piperazin-1-yl]methanone
PubChem CID60595450
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC Name1H-indazol-3-yl-[4-[2-(4-methoxyphenyl)ethyl]piperazin-1-yl]methanone
SMILESCOc1ccc(CCN2CCN(C(=O)c3n[nH]c4ccccc34)CC2)cc1
InChIInChI=1S/C21H24N4O2/c1-27-17-8-6-16(7-9-17)10-11-24-12-14-25(15-13-24)21(26)20-18-4-2-3-5-19(18)22-23-20/h2-9H,10-15H2,1H3,(H,22,23)
InChIKeyHCIWOVWYJMNWIG-UHFFFAOYSA-N
XLogP2.57
TPSA61.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(1H-indazole-3-carbonyl)piperazin-1-yl]-(1H-indazol-3-yl)methanone
CID 170858800
[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]-(1H-indazol-3-yl)methanone
CID 31332821
1H-indazol-3-yl-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]methanone
CID 37358947
1H-indazol-3-yl-[4-[(4-methylphenyl)methyl]-1,4-diazepan-1-yl]methanone
CID 30951232
[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]-(5-methyl-1H-indazol-3-yl)methanone
CID 78868617
1H-indazol-3-yl-[4-[3-(2,2,2-trifluoroethoxy)propyl]piperazin-1-yl]methanone
CID 47834502
tert-butyl 4-(1H-indazole-3-carbonyl)piperazine-1-carboxylate
CID 31517577
(4-aminophenyl)-[4-[2-(4-methoxyphenyl)ethyl]piperazin-1-yl]methanone
CID 118666758
1-(azepan-1-yl)-2-[4-(1H-indazole-3-carbonyl)piperazin-1-yl]ethanone
CID 17407477
1H-indazol-3-yl-[4-(2-methoxyethoxy)piperidin-1-yl]methanone
CID 91918253
3-amino-1-[4-(1H-indazole-3-carbonyl)piperazin-1-yl]propan-1-one
CID 170858311
N-[2-(4-methoxyphenyl)ethyl]-4-(2-phenylethyl)piperazine-1-carboxamide
CID 35961140

Frequently Asked Questions

What is the IUPAC name of 1H-indazol-3-yl-[4-[2-(4-methoxyphenyl)ethyl]piperazin-1-yl]methanone?
The IUPAC name of 1H-indazol-3-yl-[4-[2-(4-methoxyphenyl)ethyl]piperazin-1-yl]methanone (CID 60595450) is 1H-indazol-3-yl-[4-[2-(4-methoxyphenyl)ethyl]piperazin-1-yl]methanone.
What is the SMILES notation for 1H-indazol-3-yl-[4-[2-(4-methoxyphenyl)ethyl]piperazin-1-yl]methanone?
The canonical SMILES for 1H-indazol-3-yl-[4-[2-(4-methoxyphenyl)ethyl]piperazin-1-yl]methanone is COc1ccc(CCN2CCN(C(=O)c3n[nH]c4ccccc34)CC2)cc1.
What is the InChIKey of 1H-indazol-3-yl-[4-[2-(4-methoxyphenyl)ethyl]piperazin-1-yl]methanone?
The InChIKey is HCIWOVWYJMNWIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2/c1-27-17-8-6-16(7-9-17)10-11-24-12-14-25(15-13-24)21(26)20-18-4-2-3-5-19(18)22-23-20/h2-9H,10-15H2,1H3,(H,22,23).
What are the key properties of 1H-indazol-3-yl-[4-[2-(4-methoxyphenyl)ethyl]piperazin-1-yl]methanone?
1H-indazol-3-yl-[4-[2-(4-methoxyphenyl)ethyl]piperazin-1-yl]methanone has a molecular weight of 364.45 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-indazol-3-yl-[4-[2-(4-methoxyphenyl)ethyl]piperazin-1-yl]methanone is sourced from PubChem (CID 60595450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).