(5-methoxy-2-methyl-1-phenylindol-3-yl)-(4-methylpiperazin-1-yl)methanone

C22H25N3O2 — CID 651155

IUPAC(5-methoxy-2-methyl-1-phenylindol-3-yl)-(4-methylpiperazin-1-yl)methanone
SMILESCOc1ccc2c(c1)c(C(=O)N1CCN(C)CC1)c(C)n2-c1ccccc1
InChIInChI=1S/C22H25N3O2/c1-16-21(22(26)24-13-11-23(2)12-14-24)19-15-18(27-3)9-10-20(19)25(16)17-7-5-4-6-8-17/h4-10,15H,11-14H2,1-3H3
InChIKeyPCVAIGCUTFYSMV-UHFFFAOYSA-N
MW363.46 g/mol
LogP3.34
Rot. Bonds3

About (5-methoxy-2-methyl-1-phenylindol-3-yl)-(4-methylpiperazin-1-yl)methanone

(5-methoxy-2-methyl-1-phenylindol-3-yl)-(4-methylpiperazin-1-yl)methanone (PubChem CID 651155) has the molecular formula C22H25N3O2 and a molecular weight of 363.46 g/mol. Its IUPAC name is (5-methoxy-2-methyl-1-phenylindol-3-yl)-(4-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(5-methoxy-2-methyl-1-phenylindol-3-yl)-(4-methylpiperazin-1-yl)methanone
PubChem CID651155
Molecular FormulaC22H25N3O2
Molecular Weight363.46 g/mol
Exact Mass363.19
IUPAC Name(5-methoxy-2-methyl-1-phenylindol-3-yl)-(4-methylpiperazin-1-yl)methanone
SMILESCOc1ccc2c(c1)c(C(=O)N1CCN(C)CC1)c(C)n2-c1ccccc1
InChIInChI=1S/C22H25N3O2/c1-16-21(22(26)24-13-11-23(2)12-14-24)19-15-18(27-3)9-10-20(19)25(16)17-7-5-4-6-8-17/h4-10,15H,11-14H2,1-3H3
InChIKeyPCVAIGCUTFYSMV-UHFFFAOYSA-N
XLogP3.34
TPSA37.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5-methoxy-2-methyl-1-phenylindol-3-yl)-(4-methylpiperazin-1-yl)methanone?
The IUPAC name of (5-methoxy-2-methyl-1-phenylindol-3-yl)-(4-methylpiperazin-1-yl)methanone (CID 651155) is (5-methoxy-2-methyl-1-phenylindol-3-yl)-(4-methylpiperazin-1-yl)methanone.
What is the SMILES notation for (5-methoxy-2-methyl-1-phenylindol-3-yl)-(4-methylpiperazin-1-yl)methanone?
The canonical SMILES for (5-methoxy-2-methyl-1-phenylindol-3-yl)-(4-methylpiperazin-1-yl)methanone is COc1ccc2c(c1)c(C(=O)N1CCN(C)CC1)c(C)n2-c1ccccc1.
What is the InChIKey of (5-methoxy-2-methyl-1-phenylindol-3-yl)-(4-methylpiperazin-1-yl)methanone?
The InChIKey is PCVAIGCUTFYSMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O2/c1-16-21(22(26)24-13-11-23(2)12-14-24)19-15-18(27-3)9-10-20(19)25(16)17-7-5-4-6-8-17/h4-10,15H,11-14H2,1-3H3.
What are the key properties of (5-methoxy-2-methyl-1-phenylindol-3-yl)-(4-methylpiperazin-1-yl)methanone?
(5-methoxy-2-methyl-1-phenylindol-3-yl)-(4-methylpiperazin-1-yl)methanone has a molecular weight of 363.46 g/mol, XLogP of 3.34, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methoxy-2-methyl-1-phenylindol-3-yl)-(4-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 651155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).