ethyl 1-[5-(methoxymethyl)furan-2-carbonyl]-3-[(2-methylphenyl)methyl]piperidine-3-carboxylate

C23H29NO5 — CID 24817220

IUPACethyl 1-[5-(methoxymethyl)furan-2-carbonyl]-3-[(2-methylphenyl)methyl]piperidine-3-carboxylate
SMILESCCOC(=O)C1(Cc2ccccc2C)CCCN(C(=O)c2ccc(COC)o2)C1
InChIInChI=1S/C23H29NO5/c1-4-28-22(26)23(14-18-9-6-5-8-17(18)2)12-7-13-24(16-23)21(25)20-11-10-19(29-20)15-27-3/h5-6,8-11H,4,7,12-16H2,1-3H3
InChIKeyJWWPLSIKNMWCJB-UHFFFAOYSA-N
MW399.49 g/mol
LogP3.76
Rot. Bonds7

About ethyl 1-[5-(methoxymethyl)furan-2-carbonyl]-3-[(2-methylphenyl)methyl]piperidine-3-carboxylate

ethyl 1-[5-(methoxymethyl)furan-2-carbonyl]-3-[(2-methylphenyl)methyl]piperidine-3-carboxylate (PubChem CID 24817220) has the molecular formula C23H29NO5 and a molecular weight of 399.49 g/mol. Its IUPAC name is ethyl 1-[5-(methoxymethyl)furan-2-carbonyl]-3-[(2-methylphenyl)methyl]piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-[5-(methoxymethyl)furan-2-carbonyl]-3-[(2-methylphenyl)methyl]piperidine-3-carboxylate
PubChem CID24817220
Molecular FormulaC23H29NO5
Molecular Weight399.49 g/mol
Exact Mass399.20
IUPAC Nameethyl 1-[5-(methoxymethyl)furan-2-carbonyl]-3-[(2-methylphenyl)methyl]piperidine-3-carboxylate
SMILESCCOC(=O)C1(Cc2ccccc2C)CCCN(C(=O)c2ccc(COC)o2)C1
InChIInChI=1S/C23H29NO5/c1-4-28-22(26)23(14-18-9-6-5-8-17(18)2)12-7-13-24(16-23)21(25)20-11-10-19(29-20)15-27-3/h5-6,8-11H,4,7,12-16H2,1-3H3
InChIKeyJWWPLSIKNMWCJB-UHFFFAOYSA-N
XLogP3.76
TPSA68.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.49
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-[5-(methoxymethyl)furan-2-carbonyl]-3-[(2-methylphenyl)methyl]piperidine-3-carboxylate?
The IUPAC name of ethyl 1-[5-(methoxymethyl)furan-2-carbonyl]-3-[(2-methylphenyl)methyl]piperidine-3-carboxylate (CID 24817220) is ethyl 1-[5-(methoxymethyl)furan-2-carbonyl]-3-[(2-methylphenyl)methyl]piperidine-3-carboxylate.
What is the SMILES notation for ethyl 1-[5-(methoxymethyl)furan-2-carbonyl]-3-[(2-methylphenyl)methyl]piperidine-3-carboxylate?
The canonical SMILES for ethyl 1-[5-(methoxymethyl)furan-2-carbonyl]-3-[(2-methylphenyl)methyl]piperidine-3-carboxylate is CCOC(=O)C1(Cc2ccccc2C)CCCN(C(=O)c2ccc(COC)o2)C1.
What is the InChIKey of ethyl 1-[5-(methoxymethyl)furan-2-carbonyl]-3-[(2-methylphenyl)methyl]piperidine-3-carboxylate?
The InChIKey is JWWPLSIKNMWCJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29NO5/c1-4-28-22(26)23(14-18-9-6-5-8-17(18)2)12-7-13-24(16-23)21(25)20-11-10-19(29-20)15-27-3/h5-6,8-11H,4,7,12-16H2,1-3H3.
What are the key properties of ethyl 1-[5-(methoxymethyl)furan-2-carbonyl]-3-[(2-methylphenyl)methyl]piperidine-3-carboxylate?
ethyl 1-[5-(methoxymethyl)furan-2-carbonyl]-3-[(2-methylphenyl)methyl]piperidine-3-carboxylate has a molecular weight of 399.49 g/mol, XLogP of 3.76, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[5-(methoxymethyl)furan-2-carbonyl]-3-[(2-methylphenyl)methyl]piperidine-3-carboxylate is sourced from PubChem (CID 24817220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).