tert-butyl 2-[4-(2,3-dihydro-1H-indol-4-yl)piperazin-1-yl]acetate

C18H27N3O2 — CID 170625428

IUPACtert-butyl 2-[4-(2,3-dihydro-1H-indol-4-yl)piperazin-1-yl]acetate
SMILESCC(C)(C)OC(=O)CN1CCN(c2cccc3c2CCN3)CC1
InChIInChI=1S/C18H27N3O2/c1-18(2,3)23-17(22)13-20-9-11-21(12-10-20)16-6-4-5-15-14(16)7-8-19-15/h4-6,19H,7-13H2,1-3H3
InChIKeyGBVLYGUFPQVSLJ-UHFFFAOYSA-N
MW317.43 g/mol
LogP2.12
Rot. Bonds3

About tert-butyl 2-[4-(2,3-dihydro-1H-indol-4-yl)piperazin-1-yl]acetate

tert-butyl 2-[4-(2,3-dihydro-1H-indol-4-yl)piperazin-1-yl]acetate (PubChem CID 170625428) has the molecular formula C18H27N3O2 and a molecular weight of 317.43 g/mol. Its IUPAC name is tert-butyl 2-[4-(2,3-dihydro-1H-indol-4-yl)piperazin-1-yl]acetate.

Molecular Properties

Compound Nametert-butyl 2-[4-(2,3-dihydro-1H-indol-4-yl)piperazin-1-yl]acetate
PubChem CID170625428
Molecular FormulaC18H27N3O2
Molecular Weight317.43 g/mol
Exact Mass317.21
IUPAC Nametert-butyl 2-[4-(2,3-dihydro-1H-indol-4-yl)piperazin-1-yl]acetate
SMILESCC(C)(C)OC(=O)CN1CCN(c2cccc3c2CCN3)CC1
InChIInChI=1S/C18H27N3O2/c1-18(2,3)23-17(22)13-20-9-11-21(12-10-20)16-6-4-5-15-14(16)7-8-19-15/h4-6,19H,7-13H2,1-3H3
InChIKeyGBVLYGUFPQVSLJ-UHFFFAOYSA-N
XLogP2.12
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2,3-dihydro-1H-indol-4-yl)piperazine-1-carboxylic acid;2,2,2-trifluoroacetic acid
CID 170159245
benzyl 4-(2,3-dihydro-1H-indol-4-yl)piperazine-1-carboxylate;2,2,2-trifluoroacetic acid
CID 170160254
methyl 3-chloro-4-[4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]piperazin-1-yl]benzoate
CID 163391609
tert-butyl 4-(3,3-difluoro-4-methylpiperidin-1-yl)piperidine-1-carboxylate;4-(4-methylpiperazin-1-yl)-2,3-dihydro-1H-indole
CID 176558257
tert-butyl 2-(7-aminospiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)acetate
CID 175973642
tert-butyl 2-[4-[1-[(3R)-6-oxopiperidin-3-yl]-2,3-dihydroindol-4-yl]piperidin-1-yl]acetate
CID 170625741
tert-butyl 2-[4-(2-oxopropyl)-1,4,7-triazonan-1-yl]acetate
CID 118026423
tert-butyl 4-[1-(1,2,3,4-tetrahydroquinolin-5-yl)piperidin-4-yl]oxypiperidine-1-carboxylate;piperidine-2,6-dione
CID 170614792
tert-butyl 2-[4-[[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]piperazin-1-yl]methyl]piperidin-1-yl]acetate
CID 172604882
tert-butyl 2-[4-(4-aminobenzoyl)piperazin-1-yl]acetate
CID 152732549
6-[[4,7-bis[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-1,4,7-triazonan-1-yl]methyl]pyridine-2-carboxylic acid
CID 166721505
tert-butyl 2-[4-[1-(2,6-dioxopiperidin-3-yl)-2,3-dihydroindol-4-yl]piperidin-1-yl]acetate
CID 170624626

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[4-(2,3-dihydro-1H-indol-4-yl)piperazin-1-yl]acetate?
The IUPAC name of tert-butyl 2-[4-(2,3-dihydro-1H-indol-4-yl)piperazin-1-yl]acetate (CID 170625428) is tert-butyl 2-[4-(2,3-dihydro-1H-indol-4-yl)piperazin-1-yl]acetate.
What is the SMILES notation for tert-butyl 2-[4-(2,3-dihydro-1H-indol-4-yl)piperazin-1-yl]acetate?
The canonical SMILES for tert-butyl 2-[4-(2,3-dihydro-1H-indol-4-yl)piperazin-1-yl]acetate is CC(C)(C)OC(=O)CN1CCN(c2cccc3c2CCN3)CC1.
What is the InChIKey of tert-butyl 2-[4-(2,3-dihydro-1H-indol-4-yl)piperazin-1-yl]acetate?
The InChIKey is GBVLYGUFPQVSLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2/c1-18(2,3)23-17(22)13-20-9-11-21(12-10-20)16-6-4-5-15-14(16)7-8-19-15/h4-6,19H,7-13H2,1-3H3.
What are the key properties of tert-butyl 2-[4-(2,3-dihydro-1H-indol-4-yl)piperazin-1-yl]acetate?
tert-butyl 2-[4-(2,3-dihydro-1H-indol-4-yl)piperazin-1-yl]acetate has a molecular weight of 317.43 g/mol, XLogP of 2.12, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[4-(2,3-dihydro-1H-indol-4-yl)piperazin-1-yl]acetate is sourced from PubChem (CID 170625428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).