methyl [4-[1-(naphthalen-2-ylmethoxy)piperidin-4-yl]phenyl]methyl carbonate

C25H27NO4 — CID 54348888

IUPACmethyl [4-[1-(naphthalen-2-ylmethoxy)piperidin-4-yl]phenyl]methyl carbonate
SMILESCOC(=O)OCc1ccc(C2CCN(OCc3ccc4ccccc4c3)CC2)cc1
InChIInChI=1S/C25H27NO4/c1-28-25(27)29-17-19-6-9-22(10-7-19)23-12-14-26(15-13-23)30-18-20-8-11-21-4-2-3-5-24(21)16-20/h2-11,16,23H,12-15,17-18H2,1H3
InChIKeyUEGTWRXLEOBHSQ-UHFFFAOYSA-N
MW405.49 g/mol
LogP5.43
Rot. Bonds6

About methyl [4-[1-(naphthalen-2-ylmethoxy)piperidin-4-yl]phenyl]methyl carbonate

methyl [4-[1-(naphthalen-2-ylmethoxy)piperidin-4-yl]phenyl]methyl carbonate (PubChem CID 54348888) has the molecular formula C25H27NO4 and a molecular weight of 405.49 g/mol. Its IUPAC name is methyl [4-[1-(naphthalen-2-ylmethoxy)piperidin-4-yl]phenyl]methyl carbonate.

Molecular Properties

Compound Namemethyl [4-[1-(naphthalen-2-ylmethoxy)piperidin-4-yl]phenyl]methyl carbonate
PubChem CID54348888
Molecular FormulaC25H27NO4
Molecular Weight405.49 g/mol
Exact Mass405.19
IUPAC Namemethyl [4-[1-(naphthalen-2-ylmethoxy)piperidin-4-yl]phenyl]methyl carbonate
SMILESCOC(=O)OCc1ccc(C2CCN(OCc3ccc4ccccc4c3)CC2)cc1
InChIInChI=1S/C25H27NO4/c1-28-25(27)29-17-19-6-9-22(10-7-19)23-12-14-26(15-13-23)30-18-20-8-11-21-4-2-3-5-24(21)16-20/h2-11,16,23H,12-15,17-18H2,1H3
InChIKeyUEGTWRXLEOBHSQ-UHFFFAOYSA-N
XLogP5.43
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.49
LogP ≤ 55.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl [4-[1-(naphthalen-2-ylmethoxy)piperidin-4-yl]phenyl]methyl carbonate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl [4-[1-(naphthalen-2-ylmethoxy)piperidin-4-yl]phenyl]methyl carbonate?
The IUPAC name of methyl [4-[1-(naphthalen-2-ylmethoxy)piperidin-4-yl]phenyl]methyl carbonate (CID 54348888) is methyl [4-[1-(naphthalen-2-ylmethoxy)piperidin-4-yl]phenyl]methyl carbonate.
What is the SMILES notation for methyl [4-[1-(naphthalen-2-ylmethoxy)piperidin-4-yl]phenyl]methyl carbonate?
The canonical SMILES for methyl [4-[1-(naphthalen-2-ylmethoxy)piperidin-4-yl]phenyl]methyl carbonate is COC(=O)OCc1ccc(C2CCN(OCc3ccc4ccccc4c3)CC2)cc1.
What is the InChIKey of methyl [4-[1-(naphthalen-2-ylmethoxy)piperidin-4-yl]phenyl]methyl carbonate?
The InChIKey is UEGTWRXLEOBHSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27NO4/c1-28-25(27)29-17-19-6-9-22(10-7-19)23-12-14-26(15-13-23)30-18-20-8-11-21-4-2-3-5-24(21)16-20/h2-11,16,23H,12-15,17-18H2,1H3.
What are the key properties of methyl [4-[1-(naphthalen-2-ylmethoxy)piperidin-4-yl]phenyl]methyl carbonate?
methyl [4-[1-(naphthalen-2-ylmethoxy)piperidin-4-yl]phenyl]methyl carbonate has a molecular weight of 405.49 g/mol, XLogP of 5.43, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl [4-[1-(naphthalen-2-ylmethoxy)piperidin-4-yl]phenyl]methyl carbonate is sourced from PubChem (CID 54348888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).