ethyl (3R)-1-[2-methyl-5-[(4-methylphenyl)methyl]-6,7-dihydro-4H-furo[3,2-c]pyridine-3-carbonyl]piperidine-3-carboxylate

C25H32N2O4 — CID 95112154

IUPACethyl (3R)-1-[2-methyl-5-[(4-methylphenyl)methyl]-6,7-dihydro-4H-furo[3,2-c]pyridine-3-carbonyl]piperidine-3-carboxylate
SMILESCCOC(=O)[C@@H]1CCCN(C(=O)c2c(C)oc3c2CN(Cc2ccc(C)cc2)CC3)C1
InChIInChI=1S/C25H32N2O4/c1-4-30-25(29)20-6-5-12-27(15-20)24(28)23-18(3)31-22-11-13-26(16-21(22)23)14-19-9-7-17(2)8-10-19/h7-10,20H,4-6,11-16H2,1-3H3/t20-/m1/s1
InChIKeyWSUWEPYVEGZIPQ-HXUWFJFHSA-N
MW424.54 g/mol
LogP3.87
Rot. Bonds5

About ethyl (3R)-1-[2-methyl-5-[(4-methylphenyl)methyl]-6,7-dihydro-4H-furo[3,2-c]pyridine-3-carbonyl]piperidine-3-carboxylate

ethyl (3R)-1-[2-methyl-5-[(4-methylphenyl)methyl]-6,7-dihydro-4H-furo[3,2-c]pyridine-3-carbonyl]piperidine-3-carboxylate (PubChem CID 95112154) has the molecular formula C25H32N2O4 and a molecular weight of 424.54 g/mol. Its IUPAC name is ethyl (3R)-1-[2-methyl-5-[(4-methylphenyl)methyl]-6,7-dihydro-4H-furo[3,2-c]pyridine-3-carbonyl]piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl (3R)-1-[2-methyl-5-[(4-methylphenyl)methyl]-6,7-dihydro-4H-furo[3,2-c]pyridine-3-carbonyl]piperidine-3-carboxylate
PubChem CID95112154
Molecular FormulaC25H32N2O4
Molecular Weight424.54 g/mol
Exact Mass424.24
IUPAC Nameethyl (3R)-1-[2-methyl-5-[(4-methylphenyl)methyl]-6,7-dihydro-4H-furo[3,2-c]pyridine-3-carbonyl]piperidine-3-carboxylate
SMILESCCOC(=O)[C@@H]1CCCN(C(=O)c2c(C)oc3c2CN(Cc2ccc(C)cc2)CC3)C1
InChIInChI=1S/C25H32N2O4/c1-4-30-25(29)20-6-5-12-27(15-20)24(28)23-18(3)31-22-11-13-26(16-21(22)23)14-19-9-7-17(2)8-10-19/h7-10,20H,4-6,11-16H2,1-3H3/t20-/m1/s1
InChIKeyWSUWEPYVEGZIPQ-HXUWFJFHSA-N
XLogP3.87
TPSA62.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.54
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze ethyl (3R)-1-[2-methyl-5-[(4-methylphenyl)methyl]-6,7-dihydro-4H-furo[3,2-c]pyridine-3-carbonyl]piperidine-3-carboxylate with MolForge

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Related Compounds

ethyl (3S)-1-[5-[(4-methoxyphenyl)methyl]-2-methyl-6,7-dihydro-4H-furo[3,2-c]pyridine-3-carbonyl]piperidine-3-carboxylate
CID 95112159
ethyl (3R)-1-[5-[(3-fluorophenyl)methyl]-2-methyl-6,7-dihydro-4H-furo[3,2-c]pyridine-3-carbonyl]piperidine-3-carboxylate
CID 95112175
ethyl (3S)-1-[5-[(3-fluorophenyl)methyl]-2-methyl-6,7-dihydro-4H-furo[3,2-c]pyridine-3-carbonyl]piperidine-3-carboxylate
CID 95112176
ethyl 1-[2-(4-methylphenyl)acetyl]piperidine-3-carboxylate
CID 2940373
ethyl (3R)-1-[4-(hydroxymethyl)benzoyl]piperidine-3-carboxylate
CID 115538788
ethyl (3S)-1-(2,6-dimethylbenzoyl)piperidine-3-carboxylate
CID 103783546
ethyl 1-[4-[(2-oxopyrrolidin-1-yl)methyl]benzoyl]piperidine-3-carboxylate
CID 55377333
ethyl (3R)-1-[2-(3,5-dimethylphenyl)-4-[(4-methylphenyl)methyl]-3,5-dioxo-1,2,4-triazine-6-carbonyl]piperidine-3-carboxylate
CID 93160190
ethyl 1-[(4-chlorophenyl)methyl]piperidine-3-carboxylate
CID 2838484
ethyl (3R)-1-(pyridine-4-carbonyl)piperidine-3-carboxylate
CID 81344217
ethyl (3R)-1-[(4-hydroxyphenyl)methyl]piperidine-3-carboxylate
CID 764762
ethyl (3S)-1-[5-(methylsulfanylmethyl)furan-2-carbonyl]piperidine-3-carboxylate
CID 81338389

Frequently Asked Questions

What is the IUPAC name of ethyl (3R)-1-[2-methyl-5-[(4-methylphenyl)methyl]-6,7-dihydro-4H-furo[3,2-c]pyridine-3-carbonyl]piperidine-3-carboxylate?
The IUPAC name of ethyl (3R)-1-[2-methyl-5-[(4-methylphenyl)methyl]-6,7-dihydro-4H-furo[3,2-c]pyridine-3-carbonyl]piperidine-3-carboxylate (CID 95112154) is ethyl (3R)-1-[2-methyl-5-[(4-methylphenyl)methyl]-6,7-dihydro-4H-furo[3,2-c]pyridine-3-carbonyl]piperidine-3-carboxylate.
What is the SMILES notation for ethyl (3R)-1-[2-methyl-5-[(4-methylphenyl)methyl]-6,7-dihydro-4H-furo[3,2-c]pyridine-3-carbonyl]piperidine-3-carboxylate?
The canonical SMILES for ethyl (3R)-1-[2-methyl-5-[(4-methylphenyl)methyl]-6,7-dihydro-4H-furo[3,2-c]pyridine-3-carbonyl]piperidine-3-carboxylate is CCOC(=O)[C@@H]1CCCN(C(=O)c2c(C)oc3c2CN(Cc2ccc(C)cc2)CC3)C1.
What is the InChIKey of ethyl (3R)-1-[2-methyl-5-[(4-methylphenyl)methyl]-6,7-dihydro-4H-furo[3,2-c]pyridine-3-carbonyl]piperidine-3-carboxylate?
The InChIKey is WSUWEPYVEGZIPQ-HXUWFJFHSA-N. The full InChI is InChI=1S/C25H32N2O4/c1-4-30-25(29)20-6-5-12-27(15-20)24(28)23-18(3)31-22-11-13-26(16-21(22)23)14-19-9-7-17(2)8-10-19/h7-10,20H,4-6,11-16H2,1-3H3/t20-/m1/s1.
What are the key properties of ethyl (3R)-1-[2-methyl-5-[(4-methylphenyl)methyl]-6,7-dihydro-4H-furo[3,2-c]pyridine-3-carbonyl]piperidine-3-carboxylate?
ethyl (3R)-1-[2-methyl-5-[(4-methylphenyl)methyl]-6,7-dihydro-4H-furo[3,2-c]pyridine-3-carbonyl]piperidine-3-carboxylate has a molecular weight of 424.54 g/mol, XLogP of 3.87, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (3R)-1-[2-methyl-5-[(4-methylphenyl)methyl]-6,7-dihydro-4H-furo[3,2-c]pyridine-3-carbonyl]piperidine-3-carboxylate is sourced from PubChem (CID 95112154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).