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

C28H29N3O2 — CID 10575070

IUPAC[4-(2-benzhydryloxyethyl)piperazin-1-yl]-(1H-indol-2-yl)methanone
SMILESO=C(c1cc2ccccc2[nH]1)N1CCN(CCOC(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C28H29N3O2/c32-28(26-21-24-13-7-8-14-25(24)29-26)31-17-15-30(16-18-31)19-20-33-27(22-9-3-1-4-10-22)23-11-5-2-6-12-23/h1-14,21,27,29H,15-20H2
InChIKeyIDNLJMLLYBSJEB-UHFFFAOYSA-N
MW439.56 g/mol
LogP4.73
Rot. Bonds7

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

[4-(2-benzhydryloxyethyl)piperazin-1-yl]-(1H-indol-2-yl)methanone (PubChem CID 10575070) has the molecular formula C28H29N3O2 and a molecular weight of 439.56 g/mol. Its IUPAC name is [4-(2-benzhydryloxyethyl)piperazin-1-yl]-(1H-indol-2-yl)methanone.

Molecular Properties

Compound Name[4-(2-benzhydryloxyethyl)piperazin-1-yl]-(1H-indol-2-yl)methanone
PubChem CID10575070
Molecular FormulaC28H29N3O2
Molecular Weight439.56 g/mol
Exact Mass439.23
IUPAC Name[4-(2-benzhydryloxyethyl)piperazin-1-yl]-(1H-indol-2-yl)methanone
SMILESO=C(c1cc2ccccc2[nH]1)N1CCN(CCOC(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C28H29N3O2/c32-28(26-21-24-13-7-8-14-25(24)29-26)31-17-15-30(16-18-31)19-20-33-27(22-9-3-1-4-10-22)23-11-5-2-6-12-23/h1-14,21,27,29H,15-20H2
InChIKeyIDNLJMLLYBSJEB-UHFFFAOYSA-N
XLogP4.73
TPSA48.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.56
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-(2-benzhydryloxyethyl)piperazin-1-yl]-(1H-indol-2-yl)methanone?
The IUPAC name of [4-(2-benzhydryloxyethyl)piperazin-1-yl]-(1H-indol-2-yl)methanone (CID 10575070) is [4-(2-benzhydryloxyethyl)piperazin-1-yl]-(1H-indol-2-yl)methanone.
What is the SMILES notation for [4-(2-benzhydryloxyethyl)piperazin-1-yl]-(1H-indol-2-yl)methanone?
The canonical SMILES for [4-(2-benzhydryloxyethyl)piperazin-1-yl]-(1H-indol-2-yl)methanone is O=C(c1cc2ccccc2[nH]1)N1CCN(CCOC(c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of [4-(2-benzhydryloxyethyl)piperazin-1-yl]-(1H-indol-2-yl)methanone?
The InChIKey is IDNLJMLLYBSJEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N3O2/c32-28(26-21-24-13-7-8-14-25(24)29-26)31-17-15-30(16-18-31)19-20-33-27(22-9-3-1-4-10-22)23-11-5-2-6-12-23/h1-14,21,27,29H,15-20H2.
What are the key properties of [4-(2-benzhydryloxyethyl)piperazin-1-yl]-(1H-indol-2-yl)methanone?
[4-(2-benzhydryloxyethyl)piperazin-1-yl]-(1H-indol-2-yl)methanone has a molecular weight of 439.56 g/mol, XLogP of 4.73, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-benzhydryloxyethyl)piperazin-1-yl]-(1H-indol-2-yl)methanone is sourced from PubChem (CID 10575070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).