ethyl 1-[2-[bis(furan-2-ylmethyl)amino]acetyl]piperidine-2-carboxylate

C20H26N2O5 — CID 55446136

IUPACethyl 1-[2-[bis(furan-2-ylmethyl)amino]acetyl]piperidine-2-carboxylate
SMILESCCOC(=O)C1CCCCN1C(=O)CN(Cc1ccco1)Cc1ccco1
InChIInChI=1S/C20H26N2O5/c1-2-25-20(24)18-9-3-4-10-22(18)19(23)15-21(13-16-7-5-11-26-16)14-17-8-6-12-27-17/h5-8,11-12,18H,2-4,9-10,13-15H2,1H3
InChIKeyYIAUHAFAGKSLJS-UHFFFAOYSA-N
MW374.44 g/mol
LogP2.82
Rot. Bonds8

About ethyl 1-[2-[bis(furan-2-ylmethyl)amino]acetyl]piperidine-2-carboxylate

ethyl 1-[2-[bis(furan-2-ylmethyl)amino]acetyl]piperidine-2-carboxylate (PubChem CID 55446136) has the molecular formula C20H26N2O5 and a molecular weight of 374.44 g/mol. Its IUPAC name is ethyl 1-[2-[bis(furan-2-ylmethyl)amino]acetyl]piperidine-2-carboxylate.

Molecular Properties

Compound Nameethyl 1-[2-[bis(furan-2-ylmethyl)amino]acetyl]piperidine-2-carboxylate
PubChem CID55446136
Molecular FormulaC20H26N2O5
Molecular Weight374.44 g/mol
Exact Mass374.18
IUPAC Nameethyl 1-[2-[bis(furan-2-ylmethyl)amino]acetyl]piperidine-2-carboxylate
SMILESCCOC(=O)C1CCCCN1C(=O)CN(Cc1ccco1)Cc1ccco1
InChIInChI=1S/C20H26N2O5/c1-2-25-20(24)18-9-3-4-10-22(18)19(23)15-21(13-16-7-5-11-26-16)14-17-8-6-12-27-17/h5-8,11-12,18H,2-4,9-10,13-15H2,1H3
InChIKeyYIAUHAFAGKSLJS-UHFFFAOYSA-N
XLogP2.82
TPSA76.13 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 1-[2-[furan-2-ylmethyl-[(2-hydroxyphenyl)methyl]amino]acetyl]piperidine-2-carboxylate
CID 78821358
ethyl 1-[2-[2-cyanoethyl(furan-2-ylmethyl)amino]acetyl]piperidine-4-carboxylate
CID 78822822
ethyl 1-[(E)-3-(furan-2-yl)prop-2-enoyl]piperidine-2-carboxylate
CID 78987166
ethyl 1-(3-methylfuran-2-carbonyl)piperidine-2-carboxylate
CID 78915855
N-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-N-(furan-2-ylmethyl)acetamide
CID 113161044
1-[3-(furan-2-yl)propanoyl]-N'-hydroxypiperidine-2-carboximidamide
CID 77041818
tert-butyl (2R)-1-[3-(furan-2-yl)propanoyl]pyrrolidine-2-carboxylate
CID 80998556
ethyl 1-[2-(furan-2-yl)acetyl]piperidine-3-carboxylate
CID 110690641
methyl 1-[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl]piperidine-2-carboxylate
CID 78915535
ethyl (2S)-1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetyl]piperidine-2-carboxylate
CID 95150996
ethyl (2R)-1-[2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]acetyl]piperidine-2-carboxylate
CID 8553056
ethyl 1-propanoylpyrrolidine-2-carboxylate
CID 11845503

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[2-[bis(furan-2-ylmethyl)amino]acetyl]piperidine-2-carboxylate?
The IUPAC name of ethyl 1-[2-[bis(furan-2-ylmethyl)amino]acetyl]piperidine-2-carboxylate (CID 55446136) is ethyl 1-[2-[bis(furan-2-ylmethyl)amino]acetyl]piperidine-2-carboxylate.
What is the SMILES notation for ethyl 1-[2-[bis(furan-2-ylmethyl)amino]acetyl]piperidine-2-carboxylate?
The canonical SMILES for ethyl 1-[2-[bis(furan-2-ylmethyl)amino]acetyl]piperidine-2-carboxylate is CCOC(=O)C1CCCCN1C(=O)CN(Cc1ccco1)Cc1ccco1.
What is the InChIKey of ethyl 1-[2-[bis(furan-2-ylmethyl)amino]acetyl]piperidine-2-carboxylate?
The InChIKey is YIAUHAFAGKSLJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O5/c1-2-25-20(24)18-9-3-4-10-22(18)19(23)15-21(13-16-7-5-11-26-16)14-17-8-6-12-27-17/h5-8,11-12,18H,2-4,9-10,13-15H2,1H3.
What are the key properties of ethyl 1-[2-[bis(furan-2-ylmethyl)amino]acetyl]piperidine-2-carboxylate?
ethyl 1-[2-[bis(furan-2-ylmethyl)amino]acetyl]piperidine-2-carboxylate has a molecular weight of 374.44 g/mol, XLogP of 2.82, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[2-[bis(furan-2-ylmethyl)amino]acetyl]piperidine-2-carboxylate is sourced from PubChem (CID 55446136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).