ethyl 4-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]furo[3,2-b]pyrrole-5-carboxylate

C17H22N2O4 — CID 1438707

IUPACethyl 4-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]furo[3,2-b]pyrrole-5-carboxylate
SMILESCCOC(=O)c1cc2occc2n1CC(=O)N1CCC[C@H](C)C1
InChIInChI=1S/C17H22N2O4/c1-3-22-17(21)14-9-15-13(6-8-23-15)19(14)11-16(20)18-7-4-5-12(2)10-18/h6,8-9,12H,3-5,7,10-11H2,1-2H3/t12-/m0/s1
InChIKeyIUAPGFGACSGTNE-LBPRGKRZSA-N
MW318.37 g/mol
LogP2.67
Rot. Bonds4

About ethyl 4-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]furo[3,2-b]pyrrole-5-carboxylate

ethyl 4-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]furo[3,2-b]pyrrole-5-carboxylate (PubChem CID 1438707) has the molecular formula C17H22N2O4 and a molecular weight of 318.37 g/mol. Its IUPAC name is ethyl 4-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]furo[3,2-b]pyrrole-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]furo[3,2-b]pyrrole-5-carboxylate
PubChem CID1438707
Molecular FormulaC17H22N2O4
Molecular Weight318.37 g/mol
Exact Mass318.16
IUPAC Nameethyl 4-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]furo[3,2-b]pyrrole-5-carboxylate
SMILESCCOC(=O)c1cc2occc2n1CC(=O)N1CCC[C@H](C)C1
InChIInChI=1S/C17H22N2O4/c1-3-22-17(21)14-9-15-13(6-8-23-15)19(14)11-16(20)18-7-4-5-12(2)10-18/h6,8-9,12H,3-5,7,10-11H2,1-2H3/t12-/m0/s1
InChIKeyIUAPGFGACSGTNE-LBPRGKRZSA-N
XLogP2.67
TPSA64.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.37
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze ethyl 4-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]furo[3,2-b]pyrrole-5-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 4-[2-(diethylamino)-2-oxoethyl]furo[3,2-b]pyrrole-5-carboxylate
CID 1438687
ethyl 2,4-dimethyl-1-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]-5-phenylpyrrole-3-carboxylate
CID 20878936
ethyl 4-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]thieno[3,2-b]pyrrole-5-carboxylate
CID 1438921
ethyl 4-[4-(cyclobutylmethyl)furo[3,2-b]pyrrole-5-carbonyl]piperazine-1-carboxylate
CID 3630000
ethyl 1-[2-(azetidin-1-yl)-2-oxoethyl]-5-hydroxyindole-2-carboxylate
CID 142737066
ethyl 4-[(2-amino-3-hydroxypropanoyl)oxymethyl]furo[3,2-b]pyrrole-5-carboxylate
CID 50924461
ethyl 4-[2-(azepan-1-yl)-2-oxoethyl]thieno[3,2-b]pyrrole-5-carboxylate
CID 1438890
ethyl 4-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]furo[3,2-b]pyrrole-5-carboxylate
CID 1438726
1-[(3R)-3-methylpiperidin-1-yl]-2-(2-methylsulfonylbenzimidazol-1-yl)ethanone
CID 26550314
ethyl 2-[cyclopropyl-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]amino]acetate
CID 62027607
4-ethylfuro[3,2-b]pyrrole-5-carboxylic acid
CID 12733398
[2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl] 4-methylbenzoate
CID 2355163

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]furo[3,2-b]pyrrole-5-carboxylate?
The IUPAC name of ethyl 4-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]furo[3,2-b]pyrrole-5-carboxylate (CID 1438707) is ethyl 4-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]furo[3,2-b]pyrrole-5-carboxylate.
What is the SMILES notation for ethyl 4-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]furo[3,2-b]pyrrole-5-carboxylate?
The canonical SMILES for ethyl 4-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]furo[3,2-b]pyrrole-5-carboxylate is CCOC(=O)c1cc2occc2n1CC(=O)N1CCC[C@H](C)C1.
What is the InChIKey of ethyl 4-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]furo[3,2-b]pyrrole-5-carboxylate?
The InChIKey is IUAPGFGACSGTNE-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H22N2O4/c1-3-22-17(21)14-9-15-13(6-8-23-15)19(14)11-16(20)18-7-4-5-12(2)10-18/h6,8-9,12H,3-5,7,10-11H2,1-2H3/t12-/m0/s1.
What are the key properties of ethyl 4-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]furo[3,2-b]pyrrole-5-carboxylate?
ethyl 4-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]furo[3,2-b]pyrrole-5-carboxylate has a molecular weight of 318.37 g/mol, XLogP of 2.67, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]furo[3,2-b]pyrrole-5-carboxylate is sourced from PubChem (CID 1438707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).