ethyl (3R)-1-[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl]piperidine-3-carboxylate

C23H26N2O5 — CID 7745268

IUPACethyl (3R)-1-[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl]piperidine-3-carboxylate
SMILESCCOC(=O)[C@@H]1CCCN(CC(=O)Nc2cc3oc4ccccc4c3cc2OC)C1
InChIInChI=1S/C23H26N2O5/c1-3-29-23(27)15-7-6-10-25(13-15)14-22(26)24-18-12-20-17(11-21(18)28-2)16-8-4-5-9-19(16)30-20/h4-5,8-9,11-12,15H,3,6-7,10,13-14H2,1-2H3,(H,24,26)/t15-/m1/s1
InChIKeyQEMIFWRQHREMLK-OAHLLOKOSA-N
MW410.47 g/mol
LogP3.81
Rot. Bonds6

About ethyl (3R)-1-[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl]piperidine-3-carboxylate

ethyl (3R)-1-[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl]piperidine-3-carboxylate (PubChem CID 7745268) has the molecular formula C23H26N2O5 and a molecular weight of 410.47 g/mol. Its IUPAC name is ethyl (3R)-1-[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl]piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl (3R)-1-[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl]piperidine-3-carboxylate
PubChem CID7745268
Molecular FormulaC23H26N2O5
Molecular Weight410.47 g/mol
Exact Mass410.18
IUPAC Nameethyl (3R)-1-[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl]piperidine-3-carboxylate
SMILESCCOC(=O)[C@@H]1CCCN(CC(=O)Nc2cc3oc4ccccc4c3cc2OC)C1
InChIInChI=1S/C23H26N2O5/c1-3-29-23(27)15-7-6-10-25(13-15)14-22(26)24-18-12-20-17(11-21(18)28-2)16-8-4-5-9-19(16)30-20/h4-5,8-9,11-12,15H,3,6-7,10,13-14H2,1-2H3,(H,24,26)/t15-/m1/s1
InChIKeyQEMIFWRQHREMLK-OAHLLOKOSA-N
XLogP3.81
TPSA81.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.47
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl (3R)-1-[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl]piperidine-3-carboxylate with MolForge

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Related Compounds

ethyl 1-[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl]piperidine-3-carboxylate
CID 3532935
N-(2-methoxydibenzofuran-3-yl)-2-(3-methylpiperidin-1-yl)acetamide
CID 4824461
N-(2-methoxydibenzofuran-3-yl)-2-piperidin-1-ylacetamide
CID 2697422
[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl] 1-propanoylpiperidine-3-carboxylate
CID 55817891
2-[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-(2-methoxydibenzofuran-3-yl)acetamide
CID 46402836
N-(2-methoxydibenzofuran-3-yl)-2-(4-methylpiperidin-1-yl)acetamide
CID 2419747
ethyl 1-[2-(2-chloroanilino)-2-oxoethyl]piperidine-3-carboxylate
CID 51170832
ethyl (3S)-1-[2-(2-methoxy-5-nitroanilino)-2-oxoethyl]piperidine-3-carboxylate
CID 8532970
ethyl (3R)-1-[2-[[2-(2-methoxy-5-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]piperidine-3-carboxylate
CID 51562598
ethyl (3R)-1-[2-(2-iodoanilino)-2-oxoethyl]piperidine-3-carboxylate
CID 8533163
ethyl (3R)-1-[2-(2-bromoanilino)-2-oxoethyl]piperidine-3-carboxylate
CID 8533058
ethyl (3S)-1-[2-oxo-2-(2-phenylanilino)ethyl]piperidine-3-carboxylate
CID 8533241

Frequently Asked Questions

What is the IUPAC name of ethyl (3R)-1-[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl]piperidine-3-carboxylate?
The IUPAC name of ethyl (3R)-1-[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl]piperidine-3-carboxylate (CID 7745268) is ethyl (3R)-1-[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl]piperidine-3-carboxylate.
What is the SMILES notation for ethyl (3R)-1-[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl]piperidine-3-carboxylate?
The canonical SMILES for ethyl (3R)-1-[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl]piperidine-3-carboxylate is CCOC(=O)[C@@H]1CCCN(CC(=O)Nc2cc3oc4ccccc4c3cc2OC)C1.
What is the InChIKey of ethyl (3R)-1-[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl]piperidine-3-carboxylate?
The InChIKey is QEMIFWRQHREMLK-OAHLLOKOSA-N. The full InChI is InChI=1S/C23H26N2O5/c1-3-29-23(27)15-7-6-10-25(13-15)14-22(26)24-18-12-20-17(11-21(18)28-2)16-8-4-5-9-19(16)30-20/h4-5,8-9,11-12,15H,3,6-7,10,13-14H2,1-2H3,(H,24,26)/t15-/m1/s1.
What are the key properties of ethyl (3R)-1-[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl]piperidine-3-carboxylate?
ethyl (3R)-1-[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl]piperidine-3-carboxylate has a molecular weight of 410.47 g/mol, XLogP of 3.81, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (3R)-1-[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl]piperidine-3-carboxylate is sourced from PubChem (CID 7745268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).