tert-butyl 4-[4-[5-methoxy-3-(2-methoxy-2-oxoethyl)-2-methylindole-1-carbonyl]phenyl]piperidine-1-carboxylate

C30H36N2O6 — CID 134946362

IUPACtert-butyl 4-[4-[5-methoxy-3-(2-methoxy-2-oxoethyl)-2-methylindole-1-carbonyl]phenyl]piperidine-1-carboxylate
SMILESCOC(=O)Cc1c(C)n(C(=O)c2ccc(C3CCN(C(=O)OC(C)(C)C)CC3)cc2)c2ccc(OC)cc12
InChIInChI=1S/C30H36N2O6/c1-19-24(18-27(33)37-6)25-17-23(36-5)11-12-26(25)32(19)28(34)22-9-7-20(8-10-22)21-13-15-31(16-14-21)29(35)38-30(2,3)4/h7-12,17,21H,13-16,18H2,1-6H3
InChIKeyQOCCWUVFBIWYCQ-UHFFFAOYSA-N
MW520.63 g/mol
LogP5.48
Rot. Bonds5

About tert-butyl 4-[4-[5-methoxy-3-(2-methoxy-2-oxoethyl)-2-methylindole-1-carbonyl]phenyl]piperidine-1-carboxylate

tert-butyl 4-[4-[5-methoxy-3-(2-methoxy-2-oxoethyl)-2-methylindole-1-carbonyl]phenyl]piperidine-1-carboxylate (PubChem CID 134946362) has the molecular formula C30H36N2O6 and a molecular weight of 520.63 g/mol. Its IUPAC name is tert-butyl 4-[4-[5-methoxy-3-(2-methoxy-2-oxoethyl)-2-methylindole-1-carbonyl]phenyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[4-[5-methoxy-3-(2-methoxy-2-oxoethyl)-2-methylindole-1-carbonyl]phenyl]piperidine-1-carboxylate
PubChem CID134946362
Molecular FormulaC30H36N2O6
Molecular Weight520.63 g/mol
Exact Mass520.26
IUPAC Nametert-butyl 4-[4-[5-methoxy-3-(2-methoxy-2-oxoethyl)-2-methylindole-1-carbonyl]phenyl]piperidine-1-carboxylate
SMILESCOC(=O)Cc1c(C)n(C(=O)c2ccc(C3CCN(C(=O)OC(C)(C)C)CC3)cc2)c2ccc(OC)cc12
InChIInChI=1S/C30H36N2O6/c1-19-24(18-27(33)37-6)25-17-23(36-5)11-12-26(25)32(19)28(34)22-9-7-20(8-10-22)21-13-15-31(16-14-21)29(35)38-30(2,3)4/h7-12,17,21H,13-16,18H2,1-6H3
InChIKeyQOCCWUVFBIWYCQ-UHFFFAOYSA-N
XLogP5.48
TPSA87.07 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.63
LogP ≤ 55.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze tert-butyl 4-[4-[5-methoxy-3-(2-methoxy-2-oxoethyl)-2-methylindole-1-carbonyl]phenyl]piperidine-1-carboxylate with MolForge

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Related Compounds

methyl 2-(1-acetyl-5-methoxy-2-methylindol-3-yl)acetate
CID 131851971
2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-cyclopentylacetamide
CID 1265009
tert-butyl 2-[2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetyl]oxybenzoate
CID 13217477
(4-chlorophenyl) 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetate
CID 2457568
2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-[2-(cyclopropylamino)-2-oxoethyl]acetamide
CID 17482058
2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-(2-methylbutan-2-yl)acetamide
CID 7935529
N-butan-2-yl-2-[5-methoxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]acetamide
CID 69487707
2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-methylsulfonylacetamide
CID 12658319
2-[1-(4-ethoxybenzoyl)-5-methoxy-2-methylindol-3-yl]acetic acid
CID 11245558
[2-(methylcarbamoylamino)-2-oxoethyl] 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetate
CID 44713687
2-[2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetyl]oxy-2-(oxolan-2-yl)acetic acid
CID 57155755
methyl 1,3-dimethyl-5-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]indole-2-carboxylate
CID 118378615

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[4-[5-methoxy-3-(2-methoxy-2-oxoethyl)-2-methylindole-1-carbonyl]phenyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[4-[5-methoxy-3-(2-methoxy-2-oxoethyl)-2-methylindole-1-carbonyl]phenyl]piperidine-1-carboxylate (CID 134946362) is tert-butyl 4-[4-[5-methoxy-3-(2-methoxy-2-oxoethyl)-2-methylindole-1-carbonyl]phenyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[4-[5-methoxy-3-(2-methoxy-2-oxoethyl)-2-methylindole-1-carbonyl]phenyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[4-[5-methoxy-3-(2-methoxy-2-oxoethyl)-2-methylindole-1-carbonyl]phenyl]piperidine-1-carboxylate is COC(=O)Cc1c(C)n(C(=O)c2ccc(C3CCN(C(=O)OC(C)(C)C)CC3)cc2)c2ccc(OC)cc12.
What is the InChIKey of tert-butyl 4-[4-[5-methoxy-3-(2-methoxy-2-oxoethyl)-2-methylindole-1-carbonyl]phenyl]piperidine-1-carboxylate?
The InChIKey is QOCCWUVFBIWYCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H36N2O6/c1-19-24(18-27(33)37-6)25-17-23(36-5)11-12-26(25)32(19)28(34)22-9-7-20(8-10-22)21-13-15-31(16-14-21)29(35)38-30(2,3)4/h7-12,17,21H,13-16,18H2,1-6H3.
What are the key properties of tert-butyl 4-[4-[5-methoxy-3-(2-methoxy-2-oxoethyl)-2-methylindole-1-carbonyl]phenyl]piperidine-1-carboxylate?
tert-butyl 4-[4-[5-methoxy-3-(2-methoxy-2-oxoethyl)-2-methylindole-1-carbonyl]phenyl]piperidine-1-carboxylate has a molecular weight of 520.63 g/mol, XLogP of 5.48, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[4-[5-methoxy-3-(2-methoxy-2-oxoethyl)-2-methylindole-1-carbonyl]phenyl]piperidine-1-carboxylate is sourced from PubChem (CID 134946362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).