[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(3-methoxy-2-methylindazol-6-yl)methanone

C22H24N4O4 — CID 90609235

IUPAC[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(3-methoxy-2-methylindazol-6-yl)methanone
SMILESCOc1c2ccc(C(=O)N3CCN(Cc4ccc5c(c4)OCO5)CC3)cc2nn1C
InChIInChI=1S/C22H24N4O4/c1-24-22(28-2)17-5-4-16(12-18(17)23-24)21(27)26-9-7-25(8-10-26)13-15-3-6-19-20(11-15)30-14-29-19/h3-6,11-12H,7-10,13-14H2,1-2H3
InChIKeyLBNNPHNKKQCJCQ-UHFFFAOYSA-N
MW408.46 g/mol
LogP2.27
Rot. Bonds4

About [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(3-methoxy-2-methylindazol-6-yl)methanone

[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(3-methoxy-2-methylindazol-6-yl)methanone (PubChem CID 90609235) has the molecular formula C22H24N4O4 and a molecular weight of 408.46 g/mol. Its IUPAC name is [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(3-methoxy-2-methylindazol-6-yl)methanone.

Molecular Properties

Compound Name[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(3-methoxy-2-methylindazol-6-yl)methanone
PubChem CID90609235
Molecular FormulaC22H24N4O4
Molecular Weight408.46 g/mol
Exact Mass408.18
IUPAC Name[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(3-methoxy-2-methylindazol-6-yl)methanone
SMILESCOc1c2ccc(C(=O)N3CCN(Cc4ccc5c(c4)OCO5)CC3)cc2nn1C
InChIInChI=1S/C22H24N4O4/c1-24-22(28-2)17-5-4-16(12-18(17)23-24)21(27)26-9-7-25(8-10-26)13-15-3-6-19-20(11-15)30-14-29-19/h3-6,11-12H,7-10,13-14H2,1-2H3
InChIKeyLBNNPHNKKQCJCQ-UHFFFAOYSA-N
XLogP2.27
TPSA69.06 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.46
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(3-methoxy-2-methylindazol-6-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-[4-(methylsulfanylmethyl)phenyl]methanone
CID 17401616
[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(1,5-dimethylpyrazol-3-yl)methanone
CID 2738509
N-[4-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]phenyl]-N-methylmethanesulfonamide
CID 1085603
[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methanone
CID 110389036
(6-amino-3-pyridinyl)-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methanone
CID 110854155
[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(5-methyl-1,3,4-oxadiazol-2-yl)methanone
CID 110392840
[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(1H-pyrrol-3-yl)methanone
CID 110691102
1,3-benzodioxol-5-yl-(4-benzylpiperazin-1-yl)methanone
CID 803605
[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperazin-1-yl]-(3-ethoxy-4-methoxyphenyl)methanone
CID 31362194
[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(1,2-oxazol-4-yl)methanone
CID 110854108
1,3-benzodioxol-5-yl-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone
CID 17483209
[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-[3-(4-methylphenoxy)phenyl]methanone
CID 58990175

Frequently Asked Questions

What is the IUPAC name of [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(3-methoxy-2-methylindazol-6-yl)methanone?
The IUPAC name of [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(3-methoxy-2-methylindazol-6-yl)methanone (CID 90609235) is [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(3-methoxy-2-methylindazol-6-yl)methanone.
What is the SMILES notation for [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(3-methoxy-2-methylindazol-6-yl)methanone?
The canonical SMILES for [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(3-methoxy-2-methylindazol-6-yl)methanone is COc1c2ccc(C(=O)N3CCN(Cc4ccc5c(c4)OCO5)CC3)cc2nn1C.
What is the InChIKey of [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(3-methoxy-2-methylindazol-6-yl)methanone?
The InChIKey is LBNNPHNKKQCJCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O4/c1-24-22(28-2)17-5-4-16(12-18(17)23-24)21(27)26-9-7-25(8-10-26)13-15-3-6-19-20(11-15)30-14-29-19/h3-6,11-12H,7-10,13-14H2,1-2H3.
What are the key properties of [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(3-methoxy-2-methylindazol-6-yl)methanone?
[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(3-methoxy-2-methylindazol-6-yl)methanone has a molecular weight of 408.46 g/mol, XLogP of 2.27, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(3-methoxy-2-methylindazol-6-yl)methanone is sourced from PubChem (CID 90609235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).