tert-butyl 4-[[6-[5-(2-methylpropanoylamino)indol-1-yl]-3-pyridinyl]oxymethyl]piperidine-1-carboxylate

C28H36N4O4 — CID 67805344

IUPACtert-butyl 4-[[6-[5-(2-methylpropanoylamino)indol-1-yl]-3-pyridinyl]oxymethyl]piperidine-1-carboxylate
SMILESCC(C)C(=O)Nc1ccc2c(ccn2-c2ccc(OCC3CCN(C(=O)OC(C)(C)C)CC3)cn2)c1
InChIInChI=1S/C28H36N4O4/c1-19(2)26(33)30-22-6-8-24-21(16-22)12-15-32(24)25-9-7-23(17-29-25)35-18-20-10-13-31(14-11-20)27(34)36-28(3,4)5/h6-9,12,15-17,19-20H,10-11,13-14,18H2,1-5H3,(H,30,33)
InChIKeyNEGPFAIXBOINLB-UHFFFAOYSA-N
MW492.62 g/mol
LogP5.65
Rot. Bonds6

About tert-butyl 4-[[6-[5-(2-methylpropanoylamino)indol-1-yl]-3-pyridinyl]oxymethyl]piperidine-1-carboxylate

tert-butyl 4-[[6-[5-(2-methylpropanoylamino)indol-1-yl]-3-pyridinyl]oxymethyl]piperidine-1-carboxylate (PubChem CID 67805344) has the molecular formula C28H36N4O4 and a molecular weight of 492.62 g/mol. Its IUPAC name is tert-butyl 4-[[6-[5-(2-methylpropanoylamino)indol-1-yl]-3-pyridinyl]oxymethyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[[6-[5-(2-methylpropanoylamino)indol-1-yl]-3-pyridinyl]oxymethyl]piperidine-1-carboxylate
PubChem CID67805344
Molecular FormulaC28H36N4O4
Molecular Weight492.62 g/mol
Exact Mass492.27
IUPAC Nametert-butyl 4-[[6-[5-(2-methylpropanoylamino)indol-1-yl]-3-pyridinyl]oxymethyl]piperidine-1-carboxylate
SMILESCC(C)C(=O)Nc1ccc2c(ccn2-c2ccc(OCC3CCN(C(=O)OC(C)(C)C)CC3)cn2)c1
InChIInChI=1S/C28H36N4O4/c1-19(2)26(33)30-22-6-8-24-21(16-22)12-15-32(24)25-9-7-23(17-29-25)35-18-20-10-13-31(14-11-20)27(34)36-28(3,4)5/h6-9,12,15-17,19-20H,10-11,13-14,18H2,1-5H3,(H,30,33)
InChIKeyNEGPFAIXBOINLB-UHFFFAOYSA-N
XLogP5.65
TPSA85.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.62
LogP ≤ 55.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Related Compounds

tert-butyl 4-[[6-[5-(dimethylcarbamoyl)indol-1-yl]-3-pyridinyl]oxymethyl]piperidine-1-carboxylate
CID 67807780
tert-butyl 4-[[6-[5-(3-methyl-2-oxobutyl)indol-1-yl]-3-pyridinyl]oxy]piperidine-1-carboxylate
CID 161459353
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-methylsulfonylindol-1-yl)-3-pyridinyl]amino]piperidine-1-carboxylate
CID 86696183
tert-butyl 4-[(4-propan-2-ylphenoxy)methyl]piperidine-1-carboxylate
CID 58790148
2-methoxy-4-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methoxy]benzoic acid
CID 22914678
tert-butyl 4-[[6-(2-fluoro-6-methyl-3-pyridinyl)-3-pyridinyl]oxymethyl]piperidine-1-carboxylate
CID 66673220
tert-butyl 3-[(6-methyl-3-pyridinyl)oxymethyl]pyrrolidine-1-carboxylate
CID 24902735
tert-butyl 4-[2-methoxy-5-(2-methylpropanoylamino)phenyl]piperidine-1-carboxylate
CID 18446887
4-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methoxy]phthalic acid
CID 134579774
tert-butyl 4-[(3-hydroxyphenoxy)methyl]piperidine-1-carboxylate
CID 59526855
tert-butyl 4-[[5-(4-acetamidophenyl)pyrimidin-2-yl]oxymethyl]piperidine-1-carboxylate
CID 25103232

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[[6-[5-(2-methylpropanoylamino)indol-1-yl]-3-pyridinyl]oxymethyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[[6-[5-(2-methylpropanoylamino)indol-1-yl]-3-pyridinyl]oxymethyl]piperidine-1-carboxylate (CID 67805344) is tert-butyl 4-[[6-[5-(2-methylpropanoylamino)indol-1-yl]-3-pyridinyl]oxymethyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[[6-[5-(2-methylpropanoylamino)indol-1-yl]-3-pyridinyl]oxymethyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[[6-[5-(2-methylpropanoylamino)indol-1-yl]-3-pyridinyl]oxymethyl]piperidine-1-carboxylate is CC(C)C(=O)Nc1ccc2c(ccn2-c2ccc(OCC3CCN(C(=O)OC(C)(C)C)CC3)cn2)c1.
What is the InChIKey of tert-butyl 4-[[6-[5-(2-methylpropanoylamino)indol-1-yl]-3-pyridinyl]oxymethyl]piperidine-1-carboxylate?
The InChIKey is NEGPFAIXBOINLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H36N4O4/c1-19(2)26(33)30-22-6-8-24-21(16-22)12-15-32(24)25-9-7-23(17-29-25)35-18-20-10-13-31(14-11-20)27(34)36-28(3,4)5/h6-9,12,15-17,19-20H,10-11,13-14,18H2,1-5H3,(H,30,33).
What are the key properties of tert-butyl 4-[[6-[5-(2-methylpropanoylamino)indol-1-yl]-3-pyridinyl]oxymethyl]piperidine-1-carboxylate?
tert-butyl 4-[[6-[5-(2-methylpropanoylamino)indol-1-yl]-3-pyridinyl]oxymethyl]piperidine-1-carboxylate has a molecular weight of 492.62 g/mol, XLogP of 5.65, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[[6-[5-(2-methylpropanoylamino)indol-1-yl]-3-pyridinyl]oxymethyl]piperidine-1-carboxylate is sourced from PubChem (CID 67805344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).