tert-butyl 4-[[6-[5-(3-methyl-2-oxobutyl)indol-1-yl]-3-pyridinyl]oxy]piperidine-1-carboxylate

C28H35N3O4 — CID 161459353

IUPACtert-butyl 4-[[6-[5-(3-methyl-2-oxobutyl)indol-1-yl]-3-pyridinyl]oxy]piperidine-1-carboxylate
SMILESCC(C)C(=O)Cc1ccc2c(ccn2-c2ccc(OC3CCN(C(=O)OC(C)(C)C)CC3)cn2)c1
InChIInChI=1S/C28H35N3O4/c1-19(2)25(32)17-20-6-8-24-21(16-20)10-15-31(24)26-9-7-23(18-29-26)34-22-11-13-30(14-12-22)27(33)35-28(3,4)5/h6-10,15-16,18-19,22H,11-14,17H2,1-5H3
InChIKeyWBPAPTBNGKFPGM-UHFFFAOYSA-N
MW477.61 g/mol
LogP5.57
Rot. Bonds6

About tert-butyl 4-[[6-[5-(3-methyl-2-oxobutyl)indol-1-yl]-3-pyridinyl]oxy]piperidine-1-carboxylate

tert-butyl 4-[[6-[5-(3-methyl-2-oxobutyl)indol-1-yl]-3-pyridinyl]oxy]piperidine-1-carboxylate (PubChem CID 161459353) has the molecular formula C28H35N3O4 and a molecular weight of 477.61 g/mol. Its IUPAC name is tert-butyl 4-[[6-[5-(3-methyl-2-oxobutyl)indol-1-yl]-3-pyridinyl]oxy]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[[6-[5-(3-methyl-2-oxobutyl)indol-1-yl]-3-pyridinyl]oxy]piperidine-1-carboxylate
PubChem CID161459353
Molecular FormulaC28H35N3O4
Molecular Weight477.61 g/mol
Exact Mass477.26
IUPAC Nametert-butyl 4-[[6-[5-(3-methyl-2-oxobutyl)indol-1-yl]-3-pyridinyl]oxy]piperidine-1-carboxylate
SMILESCC(C)C(=O)Cc1ccc2c(ccn2-c2ccc(OC3CCN(C(=O)OC(C)(C)C)CC3)cn2)c1
InChIInChI=1S/C28H35N3O4/c1-19(2)25(32)17-20-6-8-24-21(16-20)10-15-31(24)26-9-7-23(18-29-26)34-22-11-13-30(14-12-22)27(33)35-28(3,4)5/h6-10,15-16,18-19,22H,11-14,17H2,1-5H3
InChIKeyWBPAPTBNGKFPGM-UHFFFAOYSA-N
XLogP5.57
TPSA73.66 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.61
LogP ≤ 55.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze tert-butyl 4-[[6-[5-(3-methyl-2-oxobutyl)indol-1-yl]-3-pyridinyl]oxy]piperidine-1-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

1-[5-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxy-2-pyridinyl]indole-5-carboxylic acid
CID 67615447
tert-butyl 4-[[6-[5-(2-methylpropanoylamino)indol-1-yl]-3-pyridinyl]oxymethyl]piperidine-1-carboxylate
CID 67805344
ethyl 4-[[6-(5-methylsulfonylindol-1-yl)-3-pyridinyl]oxy]piperidine-1-carboxylate
CID 67632421
tert-butyl 4-[[6-[5-(dimethylcarbamoyl)indol-1-yl]-3-pyridinyl]oxymethyl]piperidine-1-carboxylate
CID 67807780
tert-butyl 4-[(6-bromo-3-pyridinyl)oxy]piperidine-1-carboxylate
CID 119087105
1-[5-[1-[2-(dimethylamino)acetyl]piperidin-4-yl]oxy-2-pyridinyl]-N,N-dimethylindole-5-carboxamide
CID 67609554
pyrrolidin-1-yl-[1-[5-[1-(4,4,4-trifluoro-2-methylbutan-2-yl)piperidin-4-yl]oxy-2-pyridinyl]indol-5-yl]methanone
CID 67615763
tert-butyl 4-[[6-(5-methylsulfonylindol-1-yl)-3-pyridinyl]amino]piperidine-1-carboxylate
CID 86696183
4-[[6-[5-(2-hydroxyethylcarbamoyl)indol-1-yl]-3-pyridinyl]oxy]piperidine-1-carboxylic acid
CID 67616289
tert-butyl 4-[4-(hydroxymethyl)phenoxy]piperidine-1-carboxylate
CID 22632413
tert-butyl 4-[4-(bromomethyl)-3-(trifluoromethyl)phenoxy]piperidine-1-carboxylate
CID 18700084
1-[1-[5-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]oxy-2-pyridinyl]indol-5-yl]pyrrolidin-2-one
CID 67807766

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[[6-[5-(3-methyl-2-oxobutyl)indol-1-yl]-3-pyridinyl]oxy]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[[6-[5-(3-methyl-2-oxobutyl)indol-1-yl]-3-pyridinyl]oxy]piperidine-1-carboxylate (CID 161459353) is tert-butyl 4-[[6-[5-(3-methyl-2-oxobutyl)indol-1-yl]-3-pyridinyl]oxy]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[[6-[5-(3-methyl-2-oxobutyl)indol-1-yl]-3-pyridinyl]oxy]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[[6-[5-(3-methyl-2-oxobutyl)indol-1-yl]-3-pyridinyl]oxy]piperidine-1-carboxylate is CC(C)C(=O)Cc1ccc2c(ccn2-c2ccc(OC3CCN(C(=O)OC(C)(C)C)CC3)cn2)c1.
What is the InChIKey of tert-butyl 4-[[6-[5-(3-methyl-2-oxobutyl)indol-1-yl]-3-pyridinyl]oxy]piperidine-1-carboxylate?
The InChIKey is WBPAPTBNGKFPGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H35N3O4/c1-19(2)25(32)17-20-6-8-24-21(16-20)10-15-31(24)26-9-7-23(18-29-26)34-22-11-13-30(14-12-22)27(33)35-28(3,4)5/h6-10,15-16,18-19,22H,11-14,17H2,1-5H3.
What are the key properties of tert-butyl 4-[[6-[5-(3-methyl-2-oxobutyl)indol-1-yl]-3-pyridinyl]oxy]piperidine-1-carboxylate?
tert-butyl 4-[[6-[5-(3-methyl-2-oxobutyl)indol-1-yl]-3-pyridinyl]oxy]piperidine-1-carboxylate has a molecular weight of 477.61 g/mol, XLogP of 5.57, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[[6-[5-(3-methyl-2-oxobutyl)indol-1-yl]-3-pyridinyl]oxy]piperidine-1-carboxylate is sourced from PubChem (CID 161459353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).