(4-methoxy-1H-indol-2-yl)-(4-phenylpiperazin-1-yl)methanone

C20H21N3O2 — CID 110853167

IUPAC(4-methoxy-1H-indol-2-yl)-(4-phenylpiperazin-1-yl)methanone
SMILESCOc1cccc2[nH]c(C(=O)N3CCN(c4ccccc4)CC3)cc12
InChIInChI=1S/C20H21N3O2/c1-25-19-9-5-8-17-16(19)14-18(21-17)20(24)23-12-10-22(11-13-23)15-6-3-2-4-7-15/h2-9,14,21H,10-13H2,1H3
InChIKeyFRYUVJSUHMDUNM-UHFFFAOYSA-N
MW335.41 g/mol
LogP3.14
Rot. Bonds3

About (4-methoxy-1H-indol-2-yl)-(4-phenylpiperazin-1-yl)methanone

(4-methoxy-1H-indol-2-yl)-(4-phenylpiperazin-1-yl)methanone (PubChem CID 110853167) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is (4-methoxy-1H-indol-2-yl)-(4-phenylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(4-methoxy-1H-indol-2-yl)-(4-phenylpiperazin-1-yl)methanone
PubChem CID110853167
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC Name(4-methoxy-1H-indol-2-yl)-(4-phenylpiperazin-1-yl)methanone
SMILESCOc1cccc2[nH]c(C(=O)N3CCN(c4ccccc4)CC3)cc12
InChIInChI=1S/C20H21N3O2/c1-25-19-9-5-8-17-16(19)14-18(21-17)20(24)23-12-10-22(11-13-23)15-6-3-2-4-7-15/h2-9,14,21H,10-13H2,1H3
InChIKeyFRYUVJSUHMDUNM-UHFFFAOYSA-N
XLogP3.14
TPSA48.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-methoxy-1H-indol-2-yl)-[(3R)-3-methylpiperidin-1-yl]methanone
CID 138496983
(4-phenylpiperazin-1-yl)-(2,3,4-trimethoxyphenyl)methanone
CID 7892809
7-(4-methoxy-1H-indole-2-carbonyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine-2-carboxamide
CID 155909473
1-acetyl-4-(4-methoxy-1H-indole-2-carbonyl)-N-methylpiperazine-2-carboxamide
CID 110086604
(5-methyl-1H-indol-2-yl)-(4-phenylpiperazin-1-yl)methanone
CID 3403714
4-methoxy-1H-indole-2-carbonyl chloride
CID 53404354
(3-methyl-1H-indol-2-yl)-(4-phenylpiperazin-1-yl)methanone
CID 113204223
[4-(4-fluorophenyl)-1,4-diazepan-1-yl]-(4,6,7-trimethoxy-1H-indol-2-yl)methanone
CID 87042277
(2,6-dimethoxyphenyl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 668885
(6-methoxy-1H-indol-2-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 4909282
[4-(3-chlorophenyl)piperazin-1-yl]-(1H-indol-2-yl)methanone
CID 9208332
(4-methoxy-1H-indol-2-yl)-(2-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)methanone
CID 142576350

Frequently Asked Questions

What is the IUPAC name of (4-methoxy-1H-indol-2-yl)-(4-phenylpiperazin-1-yl)methanone?
The IUPAC name of (4-methoxy-1H-indol-2-yl)-(4-phenylpiperazin-1-yl)methanone (CID 110853167) is (4-methoxy-1H-indol-2-yl)-(4-phenylpiperazin-1-yl)methanone.
What is the SMILES notation for (4-methoxy-1H-indol-2-yl)-(4-phenylpiperazin-1-yl)methanone?
The canonical SMILES for (4-methoxy-1H-indol-2-yl)-(4-phenylpiperazin-1-yl)methanone is COc1cccc2[nH]c(C(=O)N3CCN(c4ccccc4)CC3)cc12.
What is the InChIKey of (4-methoxy-1H-indol-2-yl)-(4-phenylpiperazin-1-yl)methanone?
The InChIKey is FRYUVJSUHMDUNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2/c1-25-19-9-5-8-17-16(19)14-18(21-17)20(24)23-12-10-22(11-13-23)15-6-3-2-4-7-15/h2-9,14,21H,10-13H2,1H3.
What are the key properties of (4-methoxy-1H-indol-2-yl)-(4-phenylpiperazin-1-yl)methanone?
(4-methoxy-1H-indol-2-yl)-(4-phenylpiperazin-1-yl)methanone has a molecular weight of 335.41 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxy-1H-indol-2-yl)-(4-phenylpiperazin-1-yl)methanone is sourced from PubChem (CID 110853167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).