1H-indol-2-yl-[4-(2-phenoxyethyl)piperazin-1-yl]methanone

C21H23N3O2 — CID 27846916

IUPAC1H-indol-2-yl-[4-(2-phenoxyethyl)piperazin-1-yl]methanone
SMILESO=C(c1cc2ccccc2[nH]1)N1CCN(CCOc2ccccc2)CC1
InChIInChI=1S/C21H23N3O2/c25-21(20-16-17-6-4-5-9-19(17)22-20)24-12-10-23(11-13-24)14-15-26-18-7-2-1-3-8-18/h1-9,16,22H,10-15H2
InChIKeyQBCMAEWHGOHJTN-UHFFFAOYSA-N
MW349.43 g/mol
LogP3.00
Rot. Bonds5

About 1H-indol-2-yl-[4-(2-phenoxyethyl)piperazin-1-yl]methanone

1H-indol-2-yl-[4-(2-phenoxyethyl)piperazin-1-yl]methanone (PubChem CID 27846916) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is 1H-indol-2-yl-[4-(2-phenoxyethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name1H-indol-2-yl-[4-(2-phenoxyethyl)piperazin-1-yl]methanone
PubChem CID27846916
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC Name1H-indol-2-yl-[4-(2-phenoxyethyl)piperazin-1-yl]methanone
SMILESO=C(c1cc2ccccc2[nH]1)N1CCN(CCOc2ccccc2)CC1
InChIInChI=1S/C21H23N3O2/c25-21(20-16-17-6-4-5-9-19(17)22-20)24-12-10-23(11-13-24)14-15-26-18-7-2-1-3-8-18/h1-9,16,22H,10-15H2
InChIKeyQBCMAEWHGOHJTN-UHFFFAOYSA-N
XLogP3.00
TPSA48.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1H-indol-2-yl-[4-(2-phenoxyethyl)piperazin-1-yl]methanone?
The IUPAC name of 1H-indol-2-yl-[4-(2-phenoxyethyl)piperazin-1-yl]methanone (CID 27846916) is 1H-indol-2-yl-[4-(2-phenoxyethyl)piperazin-1-yl]methanone.
What is the SMILES notation for 1H-indol-2-yl-[4-(2-phenoxyethyl)piperazin-1-yl]methanone?
The canonical SMILES for 1H-indol-2-yl-[4-(2-phenoxyethyl)piperazin-1-yl]methanone is O=C(c1cc2ccccc2[nH]1)N1CCN(CCOc2ccccc2)CC1.
What is the InChIKey of 1H-indol-2-yl-[4-(2-phenoxyethyl)piperazin-1-yl]methanone?
The InChIKey is QBCMAEWHGOHJTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2/c25-21(20-16-17-6-4-5-9-19(17)22-20)24-12-10-23(11-13-24)14-15-26-18-7-2-1-3-8-18/h1-9,16,22H,10-15H2.
What are the key properties of 1H-indol-2-yl-[4-(2-phenoxyethyl)piperazin-1-yl]methanone?
1H-indol-2-yl-[4-(2-phenoxyethyl)piperazin-1-yl]methanone has a molecular weight of 349.43 g/mol, XLogP of 3.00, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-indol-2-yl-[4-(2-phenoxyethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 27846916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).