4-[1-tri(propan-2-yl)silylindol-5-yl]piperazine-1-carboxylic acid

C22H35N3O2Si — CID 22674230

IUPAC4-[1-tri(propan-2-yl)silylindol-5-yl]piperazine-1-carboxylic acid
SMILESCC(C)[Si](C(C)C)(C(C)C)n1ccc2cc(N3CCN(C(=O)O)CC3)ccc21
InChIInChI=1S/C22H35N3O2Si/c1-16(2)28(17(3)4,18(5)6)25-10-9-19-15-20(7-8-21(19)25)23-11-13-24(14-12-23)22(26)27/h7-10,15-18H,11-14H2,1-6H3,(H,26,27)
InChIKeyWIIOVZNEJMMJFV-UHFFFAOYSA-N
MW401.63 g/mol
LogP5.46
Rot. Bonds5

About 4-[1-tri(propan-2-yl)silylindol-5-yl]piperazine-1-carboxylic acid

4-[1-tri(propan-2-yl)silylindol-5-yl]piperazine-1-carboxylic acid (PubChem CID 22674230) has the molecular formula C22H35N3O2Si and a molecular weight of 401.63 g/mol. Its IUPAC name is 4-[1-tri(propan-2-yl)silylindol-5-yl]piperazine-1-carboxylic acid.

Molecular Properties

Compound Name4-[1-tri(propan-2-yl)silylindol-5-yl]piperazine-1-carboxylic acid
PubChem CID22674230
Molecular FormulaC22H35N3O2Si
Molecular Weight401.63 g/mol
Exact Mass401.25
IUPAC Name4-[1-tri(propan-2-yl)silylindol-5-yl]piperazine-1-carboxylic acid
SMILESCC(C)[Si](C(C)C)(C(C)C)n1ccc2cc(N3CCN(C(=O)O)CC3)ccc21
InChIInChI=1S/C22H35N3O2Si/c1-16(2)28(17(3)4,18(5)6)25-10-9-19-15-20(7-8-21(19)25)23-11-13-24(14-12-23)22(26)27/h7-10,15-18H,11-14H2,1-6H3,(H,26,27)
InChIKeyWIIOVZNEJMMJFV-UHFFFAOYSA-N
XLogP5.46
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.63
LogP ≤ 55.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 4-[1-tri(propan-2-yl)silylindol-5-yl]piperazine-1-carboxylic acid with MolForge

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

Launch Full Analysis

Related Compounds

1-[4-[1-tri(propan-2-yl)silylindol-5-yl]-3,6-dihydro-2H-pyridin-1-yl]ethanone
CID 21462981
4-(3-chloroisoquinolin-6-yl)piperazine-1-carboxylic acid
CID 87799589
4-(3-carbamoylquinolin-7-yl)piperazine-1-carboxylic acid
CID 90014697
4-(1H-indol-6-yl)piperazine-1-carboxylic acid
CID 66955061
4-(4-methylsulfanylphenyl)piperazine-1-carboxylic acid
CID 69368376
4-quinolin-3-ylpiperazine-1-carboxylic acid
CID 69402111
4-(3-amino-4-methoxyphenyl)piperazine-1-carboxylic acid
CID 123559736
4-(3-phenylphenyl)piperazine-1-carboxylic acid
CID 69366548
4-(4-methylsulfonylphenyl)piperazine-1-carboxylic acid
CID 141113101
4-[4-fluoro-3-(1-methylbenzimidazol-2-yl)phenyl]piperazine-1-carboxylic acid
CID 141237512
4-[4-bromo-3-(methoxymethyl)phenyl]piperazine-1-carboxylic acid
CID 130302962
4-[1-[3-(methoxymethoxy)-5-(trifluoromethyl)phenyl]indazol-5-yl]piperazine-1-carboxylic acid
CID 174185429

Frequently Asked Questions

What is the IUPAC name of 4-[1-tri(propan-2-yl)silylindol-5-yl]piperazine-1-carboxylic acid?
The IUPAC name of 4-[1-tri(propan-2-yl)silylindol-5-yl]piperazine-1-carboxylic acid (CID 22674230) is 4-[1-tri(propan-2-yl)silylindol-5-yl]piperazine-1-carboxylic acid.
What is the SMILES notation for 4-[1-tri(propan-2-yl)silylindol-5-yl]piperazine-1-carboxylic acid?
The canonical SMILES for 4-[1-tri(propan-2-yl)silylindol-5-yl]piperazine-1-carboxylic acid is CC(C)[Si](C(C)C)(C(C)C)n1ccc2cc(N3CCN(C(=O)O)CC3)ccc21.
What is the InChIKey of 4-[1-tri(propan-2-yl)silylindol-5-yl]piperazine-1-carboxylic acid?
The InChIKey is WIIOVZNEJMMJFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H35N3O2Si/c1-16(2)28(17(3)4,18(5)6)25-10-9-19-15-20(7-8-21(19)25)23-11-13-24(14-12-23)22(26)27/h7-10,15-18H,11-14H2,1-6H3,(H,26,27).
What are the key properties of 4-[1-tri(propan-2-yl)silylindol-5-yl]piperazine-1-carboxylic acid?
4-[1-tri(propan-2-yl)silylindol-5-yl]piperazine-1-carboxylic acid has a molecular weight of 401.63 g/mol, XLogP of 5.46, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-tri(propan-2-yl)silylindol-5-yl]piperazine-1-carboxylic acid is sourced from PubChem (CID 22674230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).