ethyl 3-[(3-methoxyphenyl)methyl]-1-[(6-methyl-2-pyridinyl)methyl]piperidine-3-carboxylate

C23H30N2O3 — CID 70709692

IUPACethyl 3-[(3-methoxyphenyl)methyl]-1-[(6-methyl-2-pyridinyl)methyl]piperidine-3-carboxylate
SMILESCCOC(=O)C1(Cc2cccc(OC)c2)CCCN(Cc2cccc(C)n2)C1
InChIInChI=1S/C23H30N2O3/c1-4-28-22(26)23(15-19-9-6-11-21(14-19)27-3)12-7-13-25(17-23)16-20-10-5-8-18(2)24-20/h5-6,8-11,14H,4,7,12-13,15-17H2,1-3H3
InChIKeyJUFOAJUPZAZRSC-UHFFFAOYSA-N
MW382.50 g/mol
LogP3.79
Rot. Bonds7

About ethyl 3-[(3-methoxyphenyl)methyl]-1-[(6-methyl-2-pyridinyl)methyl]piperidine-3-carboxylate

ethyl 3-[(3-methoxyphenyl)methyl]-1-[(6-methyl-2-pyridinyl)methyl]piperidine-3-carboxylate (PubChem CID 70709692) has the molecular formula C23H30N2O3 and a molecular weight of 382.50 g/mol. Its IUPAC name is ethyl 3-[(3-methoxyphenyl)methyl]-1-[(6-methyl-2-pyridinyl)methyl]piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 3-[(3-methoxyphenyl)methyl]-1-[(6-methyl-2-pyridinyl)methyl]piperidine-3-carboxylate
PubChem CID70709692
Molecular FormulaC23H30N2O3
Molecular Weight382.50 g/mol
Exact Mass382.23
IUPAC Nameethyl 3-[(3-methoxyphenyl)methyl]-1-[(6-methyl-2-pyridinyl)methyl]piperidine-3-carboxylate
SMILESCCOC(=O)C1(Cc2cccc(OC)c2)CCCN(Cc2cccc(C)n2)C1
InChIInChI=1S/C23H30N2O3/c1-4-28-22(26)23(15-19-9-6-11-21(14-19)27-3)12-7-13-25(17-23)16-20-10-5-8-18(2)24-20/h5-6,8-11,14H,4,7,12-13,15-17H2,1-3H3
InChIKeyJUFOAJUPZAZRSC-UHFFFAOYSA-N
XLogP3.79
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.50
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-[(3-methoxyphenyl)methyl]-1-[(6-methyl-2-pyridinyl)methyl]piperidine-3-carboxylate?
The IUPAC name of ethyl 3-[(3-methoxyphenyl)methyl]-1-[(6-methyl-2-pyridinyl)methyl]piperidine-3-carboxylate (CID 70709692) is ethyl 3-[(3-methoxyphenyl)methyl]-1-[(6-methyl-2-pyridinyl)methyl]piperidine-3-carboxylate.
What is the SMILES notation for ethyl 3-[(3-methoxyphenyl)methyl]-1-[(6-methyl-2-pyridinyl)methyl]piperidine-3-carboxylate?
The canonical SMILES for ethyl 3-[(3-methoxyphenyl)methyl]-1-[(6-methyl-2-pyridinyl)methyl]piperidine-3-carboxylate is CCOC(=O)C1(Cc2cccc(OC)c2)CCCN(Cc2cccc(C)n2)C1.
What is the InChIKey of ethyl 3-[(3-methoxyphenyl)methyl]-1-[(6-methyl-2-pyridinyl)methyl]piperidine-3-carboxylate?
The InChIKey is JUFOAJUPZAZRSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O3/c1-4-28-22(26)23(15-19-9-6-11-21(14-19)27-3)12-7-13-25(17-23)16-20-10-5-8-18(2)24-20/h5-6,8-11,14H,4,7,12-13,15-17H2,1-3H3.
What are the key properties of ethyl 3-[(3-methoxyphenyl)methyl]-1-[(6-methyl-2-pyridinyl)methyl]piperidine-3-carboxylate?
ethyl 3-[(3-methoxyphenyl)methyl]-1-[(6-methyl-2-pyridinyl)methyl]piperidine-3-carboxylate has a molecular weight of 382.50 g/mol, XLogP of 3.79, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[(3-methoxyphenyl)methyl]-1-[(6-methyl-2-pyridinyl)methyl]piperidine-3-carboxylate is sourced from PubChem (CID 70709692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).