ethane;1-(1-ethylpiperidin-4-yl)-2,3-dihydroindole;vanadium

C23H46N2V — CID 161158486

IUPACethane;1-(1-ethylpiperidin-4-yl)-2,3-dihydroindole;vanadium
SMILESCC.CC.CC.CC.CCN1CCC(N2CCc3ccccc32)CC1.[V]
InChIInChI=1S/C15H22N2.4C2H6.V/c1-2-16-10-8-14(9-11-16)17-12-7-13-5-3-4-6-15(13)17;4*1-2;/h3-6,14H,2,7-12H2,1H3;4*1-2H3;
InChIKeyUPPOFDWRTDBJSD-UHFFFAOYSA-N
MW401.58 g/mol
LogP6.64
Rot. Bonds2

About ethane;1-(1-ethylpiperidin-4-yl)-2,3-dihydroindole;vanadium

ethane;1-(1-ethylpiperidin-4-yl)-2,3-dihydroindole;vanadium (PubChem CID 161158486) has the molecular formula C23H46N2V and a molecular weight of 401.58 g/mol. Its IUPAC name is ethane;1-(1-ethylpiperidin-4-yl)-2,3-dihydroindole;vanadium.

Molecular Properties

Compound Nameethane;1-(1-ethylpiperidin-4-yl)-2,3-dihydroindole;vanadium
PubChem CID161158486
Molecular FormulaC23H46N2V
Molecular Weight401.58 g/mol
Exact Mass401.31
IUPAC Nameethane;1-(1-ethylpiperidin-4-yl)-2,3-dihydroindole;vanadium
SMILESCC.CC.CC.CC.CCN1CCC(N2CCc3ccccc32)CC1.[V]
InChIInChI=1S/C15H22N2.4C2H6.V/c1-2-16-10-8-14(9-11-16)17-12-7-13-5-3-4-6-15(13)17;4*1-2;/h3-6,14H,2,7-12H2,1H3;4*1-2H3;
InChIKeyUPPOFDWRTDBJSD-UHFFFAOYSA-N
XLogP6.64
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.58
LogP ≤ 56.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze ethane;1-(1-ethylpiperidin-4-yl)-2,3-dihydroindole;vanadium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethane;1-(1-ethylpiperidin-4-yl)-2,3-dihydroindole;vanadium?
The IUPAC name of ethane;1-(1-ethylpiperidin-4-yl)-2,3-dihydroindole;vanadium (CID 161158486) is ethane;1-(1-ethylpiperidin-4-yl)-2,3-dihydroindole;vanadium.
What is the SMILES notation for ethane;1-(1-ethylpiperidin-4-yl)-2,3-dihydroindole;vanadium?
The canonical SMILES for ethane;1-(1-ethylpiperidin-4-yl)-2,3-dihydroindole;vanadium is CC.CC.CC.CC.CCN1CCC(N2CCc3ccccc32)CC1.[V].
What is the InChIKey of ethane;1-(1-ethylpiperidin-4-yl)-2,3-dihydroindole;vanadium?
The InChIKey is UPPOFDWRTDBJSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2.4C2H6.V/c1-2-16-10-8-14(9-11-16)17-12-7-13-5-3-4-6-15(13)17;4*1-2;/h3-6,14H,2,7-12H2,1H3;4*1-2H3;.
What are the key properties of ethane;1-(1-ethylpiperidin-4-yl)-2,3-dihydroindole;vanadium?
ethane;1-(1-ethylpiperidin-4-yl)-2,3-dihydroindole;vanadium has a molecular weight of 401.58 g/mol, XLogP of 6.64, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-(1-ethylpiperidin-4-yl)-2,3-dihydroindole;vanadium is sourced from PubChem (CID 161158486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).