(5-methoxy-1H-indol-3-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone

C21H23N3O3 — CID 113206035

IUPAC(5-methoxy-1H-indol-3-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
SMILESCOc1ccc(N2CCN(C(=O)c3c[nH]c4ccc(OC)cc34)CC2)cc1
InChIInChI=1S/C21H23N3O3/c1-26-16-5-3-15(4-6-16)23-9-11-24(12-10-23)21(25)19-14-22-20-8-7-17(27-2)13-18(19)20/h3-8,13-14,22H,9-12H2,1-2H3
InChIKeyIRIFJBBMMMXVNO-UHFFFAOYSA-N
MW365.43 g/mol
LogP3.15
Rot. Bonds4

About (5-methoxy-1H-indol-3-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone

(5-methoxy-1H-indol-3-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone (PubChem CID 113206035) has the molecular formula C21H23N3O3 and a molecular weight of 365.43 g/mol. Its IUPAC name is (5-methoxy-1H-indol-3-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(5-methoxy-1H-indol-3-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
PubChem CID113206035
Molecular FormulaC21H23N3O3
Molecular Weight365.43 g/mol
Exact Mass365.17
IUPAC Name(5-methoxy-1H-indol-3-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
SMILESCOc1ccc(N2CCN(C(=O)c3c[nH]c4ccc(OC)cc34)CC2)cc1
InChIInChI=1S/C21H23N3O3/c1-26-16-5-3-15(4-6-16)23-9-11-24(12-10-23)21(25)19-14-22-20-8-7-17(27-2)13-18(19)20/h3-8,13-14,22H,9-12H2,1-2H3
InChIKeyIRIFJBBMMMXVNO-UHFFFAOYSA-N
XLogP3.15
TPSA57.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

3-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-4-oxo-1H-quinoline-6-sulfinic acid
CID 130182397
(6-methoxy-1H-indol-3-yl)-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 113206568
2-(5-methoxy-1H-indol-3-yl)-N-[4-(4-methylpiperazin-1-yl)phenyl]-2-oxoacetamide
CID 113208505
(5-chloro-1H-indol-3-yl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 113205820
(6-methoxy-1H-indol-3-yl)-piperidin-1-ylmethanone
CID 113206512
4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-1H-quinolin-2-one
CID 2102546
[(3R)-3-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]-(5-methoxy-1H-indol-3-yl)methanone
CID 125012958
[3-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]-(5-methoxy-1H-indol-3-yl)methanone
CID 127246684
(6-methoxy-1H-indol-2-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 4909282
[4-[3-(benzenesulfonyl)quinolin-8-yl]piperazin-1-yl]-(5-methoxy-1H-indol-3-yl)methanone
CID 171684708
1H-indol-3-yl-[4-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperazin-1-yl]methanone
CID 90517017
2-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-1H-pyridin-4-one
CID 110856456

Frequently Asked Questions

What is the IUPAC name of (5-methoxy-1H-indol-3-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone?
The IUPAC name of (5-methoxy-1H-indol-3-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone (CID 113206035) is (5-methoxy-1H-indol-3-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone.
What is the SMILES notation for (5-methoxy-1H-indol-3-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone?
The canonical SMILES for (5-methoxy-1H-indol-3-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone is COc1ccc(N2CCN(C(=O)c3c[nH]c4ccc(OC)cc34)CC2)cc1.
What is the InChIKey of (5-methoxy-1H-indol-3-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone?
The InChIKey is IRIFJBBMMMXVNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3/c1-26-16-5-3-15(4-6-16)23-9-11-24(12-10-23)21(25)19-14-22-20-8-7-17(27-2)13-18(19)20/h3-8,13-14,22H,9-12H2,1-2H3.
What are the key properties of (5-methoxy-1H-indol-3-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone?
(5-methoxy-1H-indol-3-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone has a molecular weight of 365.43 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methoxy-1H-indol-3-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 113206035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).