(4-benzylpiperazin-1-yl)-(1H-indol-2-yl)methanone

C20H21N3O — CID 5230237

IUPAC(4-benzylpiperazin-1-yl)-(1H-indol-2-yl)methanone
SMILESO=C(c1cc2ccccc2[nH]1)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C20H21N3O/c24-20(19-14-17-8-4-5-9-18(17)21-19)23-12-10-22(11-13-23)15-16-6-2-1-3-7-16/h1-9,14,21H,10-13,15H2
InChIKeyIKKXRHVVWDOOGY-UHFFFAOYSA-N
MW319.41 g/mol
LogP3.13
Rot. Bonds3

About (4-benzylpiperazin-1-yl)-(1H-indol-2-yl)methanone

(4-benzylpiperazin-1-yl)-(1H-indol-2-yl)methanone (PubChem CID 5230237) has the molecular formula C20H21N3O and a molecular weight of 319.41 g/mol. Its IUPAC name is (4-benzylpiperazin-1-yl)-(1H-indol-2-yl)methanone.

Molecular Properties

Compound Name(4-benzylpiperazin-1-yl)-(1H-indol-2-yl)methanone
PubChem CID5230237
Molecular FormulaC20H21N3O
Molecular Weight319.41 g/mol
Exact Mass319.17
IUPAC Name(4-benzylpiperazin-1-yl)-(1H-indol-2-yl)methanone
SMILESO=C(c1cc2ccccc2[nH]1)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C20H21N3O/c24-20(19-14-17-8-4-5-9-18(17)21-19)23-12-10-22(11-13-23)15-16-6-2-1-3-7-16/h1-9,14,21H,10-13,15H2
InChIKeyIKKXRHVVWDOOGY-UHFFFAOYSA-N
XLogP3.13
TPSA39.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4-benzylpiperazin-1-yl)-(1H-indol-2-yl)methanone?
The IUPAC name of (4-benzylpiperazin-1-yl)-(1H-indol-2-yl)methanone (CID 5230237) is (4-benzylpiperazin-1-yl)-(1H-indol-2-yl)methanone.
What is the SMILES notation for (4-benzylpiperazin-1-yl)-(1H-indol-2-yl)methanone?
The canonical SMILES for (4-benzylpiperazin-1-yl)-(1H-indol-2-yl)methanone is O=C(c1cc2ccccc2[nH]1)N1CCN(Cc2ccccc2)CC1.
What is the InChIKey of (4-benzylpiperazin-1-yl)-(1H-indol-2-yl)methanone?
The InChIKey is IKKXRHVVWDOOGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O/c24-20(19-14-17-8-4-5-9-18(17)21-19)23-12-10-22(11-13-23)15-16-6-2-1-3-7-16/h1-9,14,21H,10-13,15H2.
What are the key properties of (4-benzylpiperazin-1-yl)-(1H-indol-2-yl)methanone?
(4-benzylpiperazin-1-yl)-(1H-indol-2-yl)methanone has a molecular weight of 319.41 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzylpiperazin-1-yl)-(1H-indol-2-yl)methanone is sourced from PubChem (CID 5230237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).