tert-butyl 4-[2-(1H-indol-3-yl)ethyl]piperazine-1-carboxylate

C19H27N3O2 — CID 50999126

IUPACtert-butyl 4-[2-(1H-indol-3-yl)ethyl]piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN(CCc2c[nH]c3ccccc23)CC1
InChIInChI=1S/C19H27N3O2/c1-19(2,3)24-18(23)22-12-10-21(11-13-22)9-8-15-14-20-17-7-5-4-6-16(15)17/h4-7,14,20H,8-13H2,1-3H3
InChIKeyFKCFYGHUOXZTAQ-UHFFFAOYSA-N
MW329.44 g/mol
LogP3.26
Rot. Bonds3

About tert-butyl 4-[2-(1H-indol-3-yl)ethyl]piperazine-1-carboxylate

tert-butyl 4-[2-(1H-indol-3-yl)ethyl]piperazine-1-carboxylate (PubChem CID 50999126) has the molecular formula C19H27N3O2 and a molecular weight of 329.44 g/mol. Its IUPAC name is tert-butyl 4-[2-(1H-indol-3-yl)ethyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[2-(1H-indol-3-yl)ethyl]piperazine-1-carboxylate
PubChem CID50999126
Molecular FormulaC19H27N3O2
Molecular Weight329.44 g/mol
Exact Mass329.21
IUPAC Nametert-butyl 4-[2-(1H-indol-3-yl)ethyl]piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN(CCc2c[nH]c3ccccc23)CC1
InChIInChI=1S/C19H27N3O2/c1-19(2,3)24-18(23)22-12-10-21(11-13-22)9-8-15-14-20-17-7-5-4-6-16(15)17/h4-7,14,20H,8-13H2,1-3H3
InChIKeyFKCFYGHUOXZTAQ-UHFFFAOYSA-N
XLogP3.26
TPSA48.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1H-indol-3-yl)-1-[4-[2-(1H-indol-3-yl)ethyl]piperazin-1-yl]ethanone
CID 110412445
cyclopropyl-[4-[2-(1H-indol-3-yl)ethyl]piperazin-1-yl]methanone
CID 110602085
N-(2,6-dimethylphenyl)-4-[2-(1H-indol-3-yl)ethyl]piperazine-1-carboxamide
CID 113109766
4-[2-(1H-indol-3-yl)ethyl]-N-(4-methoxyphenyl)piperazine-1-carboxamide
CID 113109783
4-[2-(1H-indol-3-yl)ethyl]-N-(3-methoxypropyl)piperazine-1-carboxamide
CID 113105313
4-[2-(1H-indol-3-yl)ethyl]-N-[(3-methylphenyl)methyl]piperazine-1-carboxamide
CID 113106929
3-(2-pyrrolidin-1-ylethyl)-1H-indole
CID 26393
tert-butyl 4-[(5-hydroxy-1H-indol-3-yl)methyl]piperazine-1-carboxylate
CID 145020472
4-[2-(1H-indol-3-yl)ethyl]piperazine-1-carbaldehyde
CID 91084591
N-cyclohexyl-4-[2-(1H-indol-3-yl)ethyl]piperazine-1-carboxamide
CID 110412461
N-(3-acetylphenyl)-4-[2-(1H-indol-3-yl)ethyl]piperazine-1-carboxamide
CID 113109787
tert-butyl 2-cyano-4-(1H-indol-3-yl)butanoate
CID 25135384

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[2-(1H-indol-3-yl)ethyl]piperazine-1-carboxylate?
The IUPAC name of tert-butyl 4-[2-(1H-indol-3-yl)ethyl]piperazine-1-carboxylate (CID 50999126) is tert-butyl 4-[2-(1H-indol-3-yl)ethyl]piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[2-(1H-indol-3-yl)ethyl]piperazine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[2-(1H-indol-3-yl)ethyl]piperazine-1-carboxylate is CC(C)(C)OC(=O)N1CCN(CCc2c[nH]c3ccccc23)CC1.
What is the InChIKey of tert-butyl 4-[2-(1H-indol-3-yl)ethyl]piperazine-1-carboxylate?
The InChIKey is FKCFYGHUOXZTAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O2/c1-19(2,3)24-18(23)22-12-10-21(11-13-22)9-8-15-14-20-17-7-5-4-6-16(15)17/h4-7,14,20H,8-13H2,1-3H3.
What are the key properties of tert-butyl 4-[2-(1H-indol-3-yl)ethyl]piperazine-1-carboxylate?
tert-butyl 4-[2-(1H-indol-3-yl)ethyl]piperazine-1-carboxylate has a molecular weight of 329.44 g/mol, XLogP of 3.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[2-(1H-indol-3-yl)ethyl]piperazine-1-carboxylate is sourced from PubChem (CID 50999126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).