tert-butyl 2-(1-aminoindol-2-yl)piperidine-1-carboxylate

C18H25N3O2 — CID 118037468

IUPACtert-butyl 2-(1-aminoindol-2-yl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCCC1c1cc2ccccc2n1N
InChIInChI=1S/C18H25N3O2/c1-18(2,3)23-17(22)20-11-7-6-10-15(20)16-12-13-8-4-5-9-14(13)21(16)19/h4-5,8-9,12,15H,6-7,10-11,19H2,1-3H3
InChIKeyNOQMVXBBCFLYSR-UHFFFAOYSA-N
MW315.42 g/mol
LogP3.82
Rot. Bonds1

About tert-butyl 2-(1-aminoindol-2-yl)piperidine-1-carboxylate

tert-butyl 2-(1-aminoindol-2-yl)piperidine-1-carboxylate (PubChem CID 118037468) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is tert-butyl 2-(1-aminoindol-2-yl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-(1-aminoindol-2-yl)piperidine-1-carboxylate
PubChem CID118037468
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC Nametert-butyl 2-(1-aminoindol-2-yl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCCC1c1cc2ccccc2n1N
InChIInChI=1S/C18H25N3O2/c1-18(2,3)23-17(22)20-11-7-6-10-15(20)16-12-13-8-4-5-9-14(13)21(16)19/h4-5,8-9,12,15H,6-7,10-11,19H2,1-3H3
InChIKeyNOQMVXBBCFLYSR-UHFFFAOYSA-N
XLogP3.82
TPSA60.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 10999368
tert-butyl 2-(4-phenyl-1,3-thiazol-2-yl)piperidine-1-carboxylate
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tert-butyl (2R)-2-(2-aminophenyl)pyrrolidine-1-carboxylate
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tert-butyl 2-(2,5-dimethylpyrazol-3-yl)piperidine-1-carboxylate
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tert-butyl 2-quinolin-6-ylpiperidine-1-carboxylate
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tert-butyl (2S)-2-(furan-2-yl)piperidine-1-carboxylate
CID 124500862
tert-butyl 2-[2-(hydroxymethyl)phenyl]azepane-1-carboxylate
CID 170947825
tert-butyl 2-(4-amino-3-fluorophenyl)piperidine-1-carboxylate
CID 83404783
2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-2-yl]-2-phenylacetic acid
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CID 102390009
tert-butyl 2-[hydroxy(phenyl)methyl]azepane-1-carboxylate
CID 21106393

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(1-aminoindol-2-yl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 2-(1-aminoindol-2-yl)piperidine-1-carboxylate (CID 118037468) is tert-butyl 2-(1-aminoindol-2-yl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 2-(1-aminoindol-2-yl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 2-(1-aminoindol-2-yl)piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCCCC1c1cc2ccccc2n1N.
What is the InChIKey of tert-butyl 2-(1-aminoindol-2-yl)piperidine-1-carboxylate?
The InChIKey is NOQMVXBBCFLYSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2/c1-18(2,3)23-17(22)20-11-7-6-10-15(20)16-12-13-8-4-5-9-14(13)21(16)19/h4-5,8-9,12,15H,6-7,10-11,19H2,1-3H3.
What are the key properties of tert-butyl 2-(1-aminoindol-2-yl)piperidine-1-carboxylate?
tert-butyl 2-(1-aminoindol-2-yl)piperidine-1-carboxylate has a molecular weight of 315.42 g/mol, XLogP of 3.82, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(1-aminoindol-2-yl)piperidine-1-carboxylate is sourced from PubChem (CID 118037468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).