methyl 1-(4-indol-1-yl-4-oxobutanoyl)piperidine-4-carboxylate

C19H22N2O4 — CID 84551886

IUPACmethyl 1-(4-indol-1-yl-4-oxobutanoyl)piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(C(=O)CCC(=O)n2ccc3ccccc32)CC1
InChIInChI=1S/C19H22N2O4/c1-25-19(24)15-8-11-20(12-9-15)17(22)6-7-18(23)21-13-10-14-4-2-3-5-16(14)21/h2-5,10,13,15H,6-9,11-12H2,1H3
InChIKeyBZRVIBQQGCGPQL-UHFFFAOYSA-N
MW342.39 g/mol
LogP2.47
Rot. Bonds4

About methyl 1-(4-indol-1-yl-4-oxobutanoyl)piperidine-4-carboxylate

methyl 1-(4-indol-1-yl-4-oxobutanoyl)piperidine-4-carboxylate (PubChem CID 84551886) has the molecular formula C19H22N2O4 and a molecular weight of 342.39 g/mol. Its IUPAC name is methyl 1-(4-indol-1-yl-4-oxobutanoyl)piperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-(4-indol-1-yl-4-oxobutanoyl)piperidine-4-carboxylate
PubChem CID84551886
Molecular FormulaC19H22N2O4
Molecular Weight342.39 g/mol
Exact Mass342.16
IUPAC Namemethyl 1-(4-indol-1-yl-4-oxobutanoyl)piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(C(=O)CCC(=O)n2ccc3ccccc32)CC1
InChIInChI=1S/C19H22N2O4/c1-25-19(24)15-8-11-20(12-9-15)17(22)6-7-18(23)21-13-10-14-4-2-3-5-16(14)21/h2-5,10,13,15H,6-9,11-12H2,1H3
InChIKeyBZRVIBQQGCGPQL-UHFFFAOYSA-N
XLogP2.47
TPSA68.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.39
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 1-(4-indol-1-yl-4-oxobutanoyl)piperidine-3-carboxylate
CID 84553269
methyl 1-[3-(2-hydroxyphenyl)propanoyl]piperidine-4-carboxylate
CID 43409066
methyl 1-[3-(2-chlorophenyl)propanoyl]piperidine-4-carboxylate
CID 43404780
methyl 1-(3-phenylsulfanylpropanoyl)piperidine-4-carboxylate
CID 19061809
1-(3,4-dihydro-1H-isoquinolin-2-yl)-4-indol-1-ylbutane-1,4-dione
CID 84553706
4-indol-1-yl-N-(4-methylpiperazin-1-yl)-4-oxobutanamide
CID 84557053
methyl 1-[4-(2-aminophenoxy)butanoyl]piperidine-4-carboxylate
CID 84551777
methyl 1-[4-(4-ethoxyphenyl)-4-oxobutanoyl]piperidine-4-carboxylate
CID 4800489
4-indol-1-yl-4-oxobutanamide
CID 84553197
methyl 1-(3-phenoxypropanoyl)pyrrolidine-3-carboxylate
CID 84581076
methyl 1-[3-(1,3-benzothiazol-2-yl)propanoyl]piperidine-4-carboxylate
CID 2516173
methyl 1-[2-(1,3-dioxoisoindol-2-yl)acetyl]piperidine-4-carboxylate
CID 717639

Frequently Asked Questions

What is the IUPAC name of methyl 1-(4-indol-1-yl-4-oxobutanoyl)piperidine-4-carboxylate?
The IUPAC name of methyl 1-(4-indol-1-yl-4-oxobutanoyl)piperidine-4-carboxylate (CID 84551886) is methyl 1-(4-indol-1-yl-4-oxobutanoyl)piperidine-4-carboxylate.
What is the SMILES notation for methyl 1-(4-indol-1-yl-4-oxobutanoyl)piperidine-4-carboxylate?
The canonical SMILES for methyl 1-(4-indol-1-yl-4-oxobutanoyl)piperidine-4-carboxylate is COC(=O)C1CCN(C(=O)CCC(=O)n2ccc3ccccc32)CC1.
What is the InChIKey of methyl 1-(4-indol-1-yl-4-oxobutanoyl)piperidine-4-carboxylate?
The InChIKey is BZRVIBQQGCGPQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4/c1-25-19(24)15-8-11-20(12-9-15)17(22)6-7-18(23)21-13-10-14-4-2-3-5-16(14)21/h2-5,10,13,15H,6-9,11-12H2,1H3.
What are the key properties of methyl 1-(4-indol-1-yl-4-oxobutanoyl)piperidine-4-carboxylate?
methyl 1-(4-indol-1-yl-4-oxobutanoyl)piperidine-4-carboxylate has a molecular weight of 342.39 g/mol, XLogP of 2.47, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(4-indol-1-yl-4-oxobutanoyl)piperidine-4-carboxylate is sourced from PubChem (CID 84551886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).