(6-methoxy-1H-indol-5-yl)-[4-(1-phenylethyl)piperazin-1-yl]methanone

C22H25N3O2 — CID 22083184

IUPAC(6-methoxy-1H-indol-5-yl)-[4-(1-phenylethyl)piperazin-1-yl]methanone
SMILESCOc1cc2[nH]ccc2cc1C(=O)N1CCN(C(C)c2ccccc2)CC1
InChIInChI=1S/C22H25N3O2/c1-16(17-6-4-3-5-7-17)24-10-12-25(13-11-24)22(26)19-14-18-8-9-23-20(18)15-21(19)27-2/h3-9,14-16,23H,10-13H2,1-2H3
InChIKeyJUDWBVYBHFSCFN-UHFFFAOYSA-N
MW363.46 g/mol
LogP3.70
Rot. Bonds4

About (6-methoxy-1H-indol-5-yl)-[4-(1-phenylethyl)piperazin-1-yl]methanone

(6-methoxy-1H-indol-5-yl)-[4-(1-phenylethyl)piperazin-1-yl]methanone (PubChem CID 22083184) has the molecular formula C22H25N3O2 and a molecular weight of 363.46 g/mol. Its IUPAC name is (6-methoxy-1H-indol-5-yl)-[4-(1-phenylethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(6-methoxy-1H-indol-5-yl)-[4-(1-phenylethyl)piperazin-1-yl]methanone
PubChem CID22083184
Molecular FormulaC22H25N3O2
Molecular Weight363.46 g/mol
Exact Mass363.19
IUPAC Name(6-methoxy-1H-indol-5-yl)-[4-(1-phenylethyl)piperazin-1-yl]methanone
SMILESCOc1cc2[nH]ccc2cc1C(=O)N1CCN(C(C)c2ccccc2)CC1
InChIInChI=1S/C22H25N3O2/c1-16(17-6-4-3-5-7-17)24-10-12-25(13-11-24)22(26)19-14-18-8-9-23-20(18)15-21(19)27-2/h3-9,14-16,23H,10-13H2,1-2H3
InChIKeyJUDWBVYBHFSCFN-UHFFFAOYSA-N
XLogP3.70
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 ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (6-methoxy-1H-indol-5-yl)-[4-(1-phenylethyl)piperazin-1-yl]methanone?
The IUPAC name of (6-methoxy-1H-indol-5-yl)-[4-(1-phenylethyl)piperazin-1-yl]methanone (CID 22083184) is (6-methoxy-1H-indol-5-yl)-[4-(1-phenylethyl)piperazin-1-yl]methanone.
What is the SMILES notation for (6-methoxy-1H-indol-5-yl)-[4-(1-phenylethyl)piperazin-1-yl]methanone?
The canonical SMILES for (6-methoxy-1H-indol-5-yl)-[4-(1-phenylethyl)piperazin-1-yl]methanone is COc1cc2[nH]ccc2cc1C(=O)N1CCN(C(C)c2ccccc2)CC1.
What is the InChIKey of (6-methoxy-1H-indol-5-yl)-[4-(1-phenylethyl)piperazin-1-yl]methanone?
The InChIKey is JUDWBVYBHFSCFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O2/c1-16(17-6-4-3-5-7-17)24-10-12-25(13-11-24)22(26)19-14-18-8-9-23-20(18)15-21(19)27-2/h3-9,14-16,23H,10-13H2,1-2H3.
What are the key properties of (6-methoxy-1H-indol-5-yl)-[4-(1-phenylethyl)piperazin-1-yl]methanone?
(6-methoxy-1H-indol-5-yl)-[4-(1-phenylethyl)piperazin-1-yl]methanone has a molecular weight of 363.46 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methoxy-1H-indol-5-yl)-[4-(1-phenylethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 22083184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).