(2-methoxyphenyl)-[4-[(2-methyl-1H-indol-3-yl)methyl]piperazin-1-yl]methanone

C22H25N3O2 — CID 110397387

IUPAC(2-methoxyphenyl)-[4-[(2-methyl-1H-indol-3-yl)methyl]piperazin-1-yl]methanone
SMILESCOc1ccccc1C(=O)N1CCN(Cc2c(C)[nH]c3ccccc23)CC1
InChIInChI=1S/C22H25N3O2/c1-16-19(17-7-3-5-9-20(17)23-16)15-24-11-13-25(14-12-24)22(26)18-8-4-6-10-21(18)27-2/h3-10,23H,11-15H2,1-2H3
InChIKeyZUQLLQMUZKKLJV-UHFFFAOYSA-N
MW363.46 g/mol
LogP3.44
Rot. Bonds4

About (2-methoxyphenyl)-[4-[(2-methyl-1H-indol-3-yl)methyl]piperazin-1-yl]methanone

(2-methoxyphenyl)-[4-[(2-methyl-1H-indol-3-yl)methyl]piperazin-1-yl]methanone (PubChem CID 110397387) has the molecular formula C22H25N3O2 and a molecular weight of 363.46 g/mol. Its IUPAC name is (2-methoxyphenyl)-[4-[(2-methyl-1H-indol-3-yl)methyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(2-methoxyphenyl)-[4-[(2-methyl-1H-indol-3-yl)methyl]piperazin-1-yl]methanone
PubChem CID110397387
Molecular FormulaC22H25N3O2
Molecular Weight363.46 g/mol
Exact Mass363.19
IUPAC Name(2-methoxyphenyl)-[4-[(2-methyl-1H-indol-3-yl)methyl]piperazin-1-yl]methanone
SMILESCOc1ccccc1C(=O)N1CCN(Cc2c(C)[nH]c3ccccc23)CC1
InChIInChI=1S/C22H25N3O2/c1-16-19(17-7-3-5-9-20(17)23-16)15-24-11-13-25(14-12-24)22(26)18-8-4-6-10-21(18)27-2/h3-10,23H,11-15H2,1-2H3
InChIKeyZUQLLQMUZKKLJV-UHFFFAOYSA-N
XLogP3.44
TPSA48.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

(3,4-difluorophenyl)-[4-[(2-methyl-1H-indol-3-yl)methyl]piperazin-1-yl]methanone
CID 110397417
1-[4-[(2-methyl-1H-indol-3-yl)methyl]piperazin-1-yl]-3-phenylpropan-1-one
CID 110397400
[4-[(2-cyclopentyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]piperazin-1-yl]-(2-methoxyphenyl)methanone
CID 95853360
(2-fluorophenyl)-[4-[(2-methoxynaphthalen-1-yl)methyl]piperazin-1-yl]methanone
CID 1112882
(2-methoxyphenyl)-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]methanone
CID 34555816
1-[4-[(2-methyl-1H-indol-3-yl)methyl]piperazin-1-yl]-3-thiophen-2-ylpropan-1-one
CID 110397428
1-[4-(2-methoxybenzoyl)piperazin-1-yl]-3,3-dimethylbutan-2-one
CID 110709738
2-[4-(2-methoxybenzoyl)piperazin-1-yl]ethanethioamide
CID 63336323
[4-(2-methoxy-5-methylbenzoyl)piperazin-1-yl]-(2-methoxyphenyl)methanone
CID 110814937
1-[4-(2-fluorobenzoyl)-1,4-diazepan-1-yl]-2-(2-methyl-1H-indol-3-yl)ethanone
CID 78852452
[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-(2-methoxyphenyl)methanone
CID 63308302
N-[[1-[(2-methyl-1H-indol-3-yl)methyl]piperidin-4-yl]methyl]ethanamine
CID 80550988

Frequently Asked Questions

What is the IUPAC name of (2-methoxyphenyl)-[4-[(2-methyl-1H-indol-3-yl)methyl]piperazin-1-yl]methanone?
The IUPAC name of (2-methoxyphenyl)-[4-[(2-methyl-1H-indol-3-yl)methyl]piperazin-1-yl]methanone (CID 110397387) is (2-methoxyphenyl)-[4-[(2-methyl-1H-indol-3-yl)methyl]piperazin-1-yl]methanone.
What is the SMILES notation for (2-methoxyphenyl)-[4-[(2-methyl-1H-indol-3-yl)methyl]piperazin-1-yl]methanone?
The canonical SMILES for (2-methoxyphenyl)-[4-[(2-methyl-1H-indol-3-yl)methyl]piperazin-1-yl]methanone is COc1ccccc1C(=O)N1CCN(Cc2c(C)[nH]c3ccccc23)CC1.
What is the InChIKey of (2-methoxyphenyl)-[4-[(2-methyl-1H-indol-3-yl)methyl]piperazin-1-yl]methanone?
The InChIKey is ZUQLLQMUZKKLJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O2/c1-16-19(17-7-3-5-9-20(17)23-16)15-24-11-13-25(14-12-24)22(26)18-8-4-6-10-21(18)27-2/h3-10,23H,11-15H2,1-2H3.
What are the key properties of (2-methoxyphenyl)-[4-[(2-methyl-1H-indol-3-yl)methyl]piperazin-1-yl]methanone?
(2-methoxyphenyl)-[4-[(2-methyl-1H-indol-3-yl)methyl]piperazin-1-yl]methanone has a molecular weight of 363.46 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxyphenyl)-[4-[(2-methyl-1H-indol-3-yl)methyl]piperazin-1-yl]methanone is sourced from PubChem (CID 110397387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).