(4-tert-butylpiperazin-1-yl)-(2,3-dihydro-1H-indol-3-yl)methanone

C17H25N3O — CID 80563359

IUPAC(4-tert-butylpiperazin-1-yl)-(2,3-dihydro-1H-indol-3-yl)methanone
SMILESCC(C)(C)N1CCN(C(=O)C2CNc3ccccc32)CC1
InChIInChI=1S/C17H25N3O/c1-17(2,3)20-10-8-19(9-11-20)16(21)14-12-18-15-7-5-4-6-13(14)15/h4-7,14,18H,8-12H2,1-3H3
InChIKeyVLLMOZHDVLEPMV-UHFFFAOYSA-N
MW287.41 g/mol
LogP2.14
Rot. Bonds1

About (4-tert-butylpiperazin-1-yl)-(2,3-dihydro-1H-indol-3-yl)methanone

(4-tert-butylpiperazin-1-yl)-(2,3-dihydro-1H-indol-3-yl)methanone (PubChem CID 80563359) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is (4-tert-butylpiperazin-1-yl)-(2,3-dihydro-1H-indol-3-yl)methanone.

Molecular Properties

Compound Name(4-tert-butylpiperazin-1-yl)-(2,3-dihydro-1H-indol-3-yl)methanone
PubChem CID80563359
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name(4-tert-butylpiperazin-1-yl)-(2,3-dihydro-1H-indol-3-yl)methanone
SMILESCC(C)(C)N1CCN(C(=O)C2CNc3ccccc32)CC1
InChIInChI=1S/C17H25N3O/c1-17(2,3)20-10-8-19(9-11-20)16(21)14-12-18-15-7-5-4-6-13(14)15/h4-7,14,18H,8-12H2,1-3H3
InChIKeyVLLMOZHDVLEPMV-UHFFFAOYSA-N
XLogP2.14
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-tert-butylpiperazin-1-yl)-(2,3-dihydro-1H-indol-3-yl)methanone?
The IUPAC name of (4-tert-butylpiperazin-1-yl)-(2,3-dihydro-1H-indol-3-yl)methanone (CID 80563359) is (4-tert-butylpiperazin-1-yl)-(2,3-dihydro-1H-indol-3-yl)methanone.
What is the SMILES notation for (4-tert-butylpiperazin-1-yl)-(2,3-dihydro-1H-indol-3-yl)methanone?
The canonical SMILES for (4-tert-butylpiperazin-1-yl)-(2,3-dihydro-1H-indol-3-yl)methanone is CC(C)(C)N1CCN(C(=O)C2CNc3ccccc32)CC1.
What is the InChIKey of (4-tert-butylpiperazin-1-yl)-(2,3-dihydro-1H-indol-3-yl)methanone?
The InChIKey is VLLMOZHDVLEPMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-17(2,3)20-10-8-19(9-11-20)16(21)14-12-18-15-7-5-4-6-13(14)15/h4-7,14,18H,8-12H2,1-3H3.
What are the key properties of (4-tert-butylpiperazin-1-yl)-(2,3-dihydro-1H-indol-3-yl)methanone?
(4-tert-butylpiperazin-1-yl)-(2,3-dihydro-1H-indol-3-yl)methanone has a molecular weight of 287.41 g/mol, XLogP of 2.14, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-tert-butylpiperazin-1-yl)-(2,3-dihydro-1H-indol-3-yl)methanone is sourced from PubChem (CID 80563359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).