tert-butyl (2R)-2-[ethyl(1H-indol-3-yl)amino]piperidine-1-carboxylate

C20H29N3O2 — CID 175261649

IUPACtert-butyl (2R)-2-[ethyl(1H-indol-3-yl)amino]piperidine-1-carboxylate
SMILESCCN(c1c[nH]c2ccccc12)[C@H]1CCCCN1C(=O)OC(C)(C)C
InChIInChI=1S/C20H29N3O2/c1-5-22(17-14-21-16-11-7-6-10-15(16)17)18-12-8-9-13-23(18)19(24)25-20(2,3)4/h6-7,10-11,14,18,21H,5,8-9,12-13H2,1-4H3/t18-/m1/s1
InChIKeySIOVTGQKLVCSRE-GOSISDBHSA-N
MW343.47 g/mol
LogP4.74
Rot. Bonds3

About tert-butyl (2R)-2-[ethyl(1H-indol-3-yl)amino]piperidine-1-carboxylate

tert-butyl (2R)-2-[ethyl(1H-indol-3-yl)amino]piperidine-1-carboxylate (PubChem CID 175261649) has the molecular formula C20H29N3O2 and a molecular weight of 343.47 g/mol. Its IUPAC name is tert-butyl (2R)-2-[ethyl(1H-indol-3-yl)amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2R)-2-[ethyl(1H-indol-3-yl)amino]piperidine-1-carboxylate
PubChem CID175261649
Molecular FormulaC20H29N3O2
Molecular Weight343.47 g/mol
Exact Mass343.23
IUPAC Nametert-butyl (2R)-2-[ethyl(1H-indol-3-yl)amino]piperidine-1-carboxylate
SMILESCCN(c1c[nH]c2ccccc12)[C@H]1CCCCN1C(=O)OC(C)(C)C
InChIInChI=1S/C20H29N3O2/c1-5-22(17-14-21-16-11-7-6-10-15(16)17)18-12-8-9-13-23(18)19(24)25-20(2,3)4/h6-7,10-11,14,18,21H,5,8-9,12-13H2,1-4H3/t18-/m1/s1
InChIKeySIOVTGQKLVCSRE-GOSISDBHSA-N
XLogP4.74
TPSA48.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 2-(dibenzylamino)piperidine-1-carboxylate
CID 175955351
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CID 36769023
(2S,3S)-3-(1H-indol-3-yl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
CID 100981666
(2S)-3-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonyl-[(2R)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carbonyl]amino]propanoic acid
CID 68801617
tert-butyl (2S)-1-(1H-indol-3-ylmethyl)piperidine-2-carboxylate
CID 110189012
3-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-2-yl]methyl]-2-oxo-1H-quinoline-4-carboxylic acid
CID 46223407
tert-butyl (2S)-2-[[(2S)-3-(1H-indol-3-yl)-1-methoxy-1-oxopropan-2-yl]carbamoyl]pyrrolidine-1-carboxylate
CID 101439832
tert-butyl (2R)-2-benzylpiperidine-1-carboxylate
CID 67726841
tert-butyl (2S)-2-benzylpiperidine-1-carboxylate
CID 94006022
tert-butyl 2-(phenylsulfanylmethyl)piperidine-1-carboxylate
CID 69343898
tert-butyl 2-[2-(hydroxymethyl)phenyl]azepane-1-carboxylate
CID 170947825
tert-butyl 2-(1H-pyrrol-2-ylmethoxy)piperidine-1-carboxylate
CID 160564049

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R)-2-[ethyl(1H-indol-3-yl)amino]piperidine-1-carboxylate?
The IUPAC name of tert-butyl (2R)-2-[ethyl(1H-indol-3-yl)amino]piperidine-1-carboxylate (CID 175261649) is tert-butyl (2R)-2-[ethyl(1H-indol-3-yl)amino]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2R)-2-[ethyl(1H-indol-3-yl)amino]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl (2R)-2-[ethyl(1H-indol-3-yl)amino]piperidine-1-carboxylate is CCN(c1c[nH]c2ccccc12)[C@H]1CCCCN1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (2R)-2-[ethyl(1H-indol-3-yl)amino]piperidine-1-carboxylate?
The InChIKey is SIOVTGQKLVCSRE-GOSISDBHSA-N. The full InChI is InChI=1S/C20H29N3O2/c1-5-22(17-14-21-16-11-7-6-10-15(16)17)18-12-8-9-13-23(18)19(24)25-20(2,3)4/h6-7,10-11,14,18,21H,5,8-9,12-13H2,1-4H3/t18-/m1/s1.
What are the key properties of tert-butyl (2R)-2-[ethyl(1H-indol-3-yl)amino]piperidine-1-carboxylate?
tert-butyl (2R)-2-[ethyl(1H-indol-3-yl)amino]piperidine-1-carboxylate has a molecular weight of 343.47 g/mol, XLogP of 4.74, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R)-2-[ethyl(1H-indol-3-yl)amino]piperidine-1-carboxylate is sourced from PubChem (CID 175261649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).