tert-butyl 4-[[2-oxo-2-(1-propan-2-ylindol-3-yl)acetyl]amino]piperidine-1-carboxylate

C23H31N3O4 — CID 59438573

IUPACtert-butyl 4-[[2-oxo-2-(1-propan-2-ylindol-3-yl)acetyl]amino]piperidine-1-carboxylate
SMILESCC(C)n1cc(C(=O)C(=O)NC2CCN(C(=O)OC(C)(C)C)CC2)c2ccccc21
InChIInChI=1S/C23H31N3O4/c1-15(2)26-14-18(17-8-6-7-9-19(17)26)20(27)21(28)24-16-10-12-25(13-11-16)22(29)30-23(3,4)5/h6-9,14-16H,10-13H2,1-5H3,(H,24,28)
InChIKeyALKSMSKTRQCOSZ-UHFFFAOYSA-N
MW413.52 g/mol
LogP3.92
Rot. Bonds4

About tert-butyl 4-[[2-oxo-2-(1-propan-2-ylindol-3-yl)acetyl]amino]piperidine-1-carboxylate

tert-butyl 4-[[2-oxo-2-(1-propan-2-ylindol-3-yl)acetyl]amino]piperidine-1-carboxylate (PubChem CID 59438573) has the molecular formula C23H31N3O4 and a molecular weight of 413.52 g/mol. Its IUPAC name is tert-butyl 4-[[2-oxo-2-(1-propan-2-ylindol-3-yl)acetyl]amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[[2-oxo-2-(1-propan-2-ylindol-3-yl)acetyl]amino]piperidine-1-carboxylate
PubChem CID59438573
Molecular FormulaC23H31N3O4
Molecular Weight413.52 g/mol
Exact Mass413.23
IUPAC Nametert-butyl 4-[[2-oxo-2-(1-propan-2-ylindol-3-yl)acetyl]amino]piperidine-1-carboxylate
SMILESCC(C)n1cc(C(=O)C(=O)NC2CCN(C(=O)OC(C)(C)C)CC2)c2ccccc21
InChIInChI=1S/C23H31N3O4/c1-15(2)26-14-18(17-8-6-7-9-19(17)26)20(27)21(28)24-16-10-12-25(13-11-16)22(29)30-23(3,4)5/h6-9,14-16H,10-13H2,1-5H3,(H,24,28)
InChIKeyALKSMSKTRQCOSZ-UHFFFAOYSA-N
XLogP3.92
TPSA80.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.52
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(1-ethylpiperidin-4-yl)-2-oxo-2-(1-propan-2-ylindol-3-yl)acetamide
CID 46223745
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tert-butyl 4-[[2-(methylamino)benzoyl]amino]piperidine-1-carboxylate
CID 126805389
tert-butyl 4-(benzoylcarbamoylamino)piperidine-1-carboxylate
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CID 175358217
tert-butyl (3R)-3-[[(1R)-1-naphthalen-1-ylethyl]amino]pyrrolidine-1-carboxylate
CID 121478883
tert-butyl 4-[[(2S)-2,3-dihydro-1-benzofuran-2-carbonyl]amino]piperidine-1-carboxylate
CID 94812936
3-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]carbamoyl]benzoic acid
CID 53255865
tert-butyl 4-(benzoylcarbamothioylamino)piperidine-1-carboxylate
CID 75480976
tert-butyl 4-[2-(1-hydroxyethyl)anilino]piperidine-1-carboxylate
CID 57248020
tert-butyl 4-[(4-aminonaphthalen-1-yl)amino]piperidine-1-carboxylate
CID 130377904

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[[2-oxo-2-(1-propan-2-ylindol-3-yl)acetyl]amino]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[[2-oxo-2-(1-propan-2-ylindol-3-yl)acetyl]amino]piperidine-1-carboxylate (CID 59438573) is tert-butyl 4-[[2-oxo-2-(1-propan-2-ylindol-3-yl)acetyl]amino]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[[2-oxo-2-(1-propan-2-ylindol-3-yl)acetyl]amino]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[[2-oxo-2-(1-propan-2-ylindol-3-yl)acetyl]amino]piperidine-1-carboxylate is CC(C)n1cc(C(=O)C(=O)NC2CCN(C(=O)OC(C)(C)C)CC2)c2ccccc21.
What is the InChIKey of tert-butyl 4-[[2-oxo-2-(1-propan-2-ylindol-3-yl)acetyl]amino]piperidine-1-carboxylate?
The InChIKey is ALKSMSKTRQCOSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O4/c1-15(2)26-14-18(17-8-6-7-9-19(17)26)20(27)21(28)24-16-10-12-25(13-11-16)22(29)30-23(3,4)5/h6-9,14-16H,10-13H2,1-5H3,(H,24,28).
What are the key properties of tert-butyl 4-[[2-oxo-2-(1-propan-2-ylindol-3-yl)acetyl]amino]piperidine-1-carboxylate?
tert-butyl 4-[[2-oxo-2-(1-propan-2-ylindol-3-yl)acetyl]amino]piperidine-1-carboxylate has a molecular weight of 413.52 g/mol, XLogP of 3.92, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[[2-oxo-2-(1-propan-2-ylindol-3-yl)acetyl]amino]piperidine-1-carboxylate is sourced from PubChem (CID 59438573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).