(1-methylpiperidin-2-yl)methyl tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene-2-carboxylate

C23H27NO2 — CID 5146689

IUPAC(1-methylpiperidin-2-yl)methyl tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene-2-carboxylate
SMILESCN1CCCCC1COC(=O)C1c2ccccc2CCc2ccccc21
InChIInChI=1S/C23H27NO2/c1-24-15-7-6-10-19(24)16-26-23(25)22-20-11-4-2-8-17(20)13-14-18-9-3-5-12-21(18)22/h2-5,8-9,11-12,19,22H,6-7,10,13-16H2,1H3
InChIKeyLFLVISQXITZJLL-UHFFFAOYSA-N
MW349.47 g/mol
LogP3.94
Rot. Bonds3

About (1-methylpiperidin-2-yl)methyl tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene-2-carboxylate

(1-methylpiperidin-2-yl)methyl tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene-2-carboxylate (PubChem CID 5146689) has the molecular formula C23H27NO2 and a molecular weight of 349.47 g/mol. Its IUPAC name is (1-methylpiperidin-2-yl)methyl tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene-2-carboxylate.

Molecular Properties

Compound Name(1-methylpiperidin-2-yl)methyl tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene-2-carboxylate
PubChem CID5146689
Molecular FormulaC23H27NO2
Molecular Weight349.47 g/mol
Exact Mass349.20
IUPAC Name(1-methylpiperidin-2-yl)methyl tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene-2-carboxylate
SMILESCN1CCCCC1COC(=O)C1c2ccccc2CCc2ccccc21
InChIInChI=1S/C23H27NO2/c1-24-15-7-6-10-19(24)16-26-23(25)22-20-11-4-2-8-17(20)13-14-18-9-3-5-12-21(18)22/h2-5,8-9,11-12,19,22H,6-7,10,13-16H2,1H3
InChIKeyLFLVISQXITZJLL-UHFFFAOYSA-N
XLogP3.94
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.47
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1-methylpiperidin-2-yl)methyl tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene-2-carboxylate?
The IUPAC name of (1-methylpiperidin-2-yl)methyl tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene-2-carboxylate (CID 5146689) is (1-methylpiperidin-2-yl)methyl tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene-2-carboxylate.
What is the SMILES notation for (1-methylpiperidin-2-yl)methyl tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene-2-carboxylate?
The canonical SMILES for (1-methylpiperidin-2-yl)methyl tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene-2-carboxylate is CN1CCCCC1COC(=O)C1c2ccccc2CCc2ccccc21.
What is the InChIKey of (1-methylpiperidin-2-yl)methyl tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene-2-carboxylate?
The InChIKey is LFLVISQXITZJLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27NO2/c1-24-15-7-6-10-19(24)16-26-23(25)22-20-11-4-2-8-17(20)13-14-18-9-3-5-12-21(18)22/h2-5,8-9,11-12,19,22H,6-7,10,13-16H2,1H3.
What are the key properties of (1-methylpiperidin-2-yl)methyl tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene-2-carboxylate?
(1-methylpiperidin-2-yl)methyl tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene-2-carboxylate has a molecular weight of 349.47 g/mol, XLogP of 3.94, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylpiperidin-2-yl)methyl tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene-2-carboxylate is sourced from PubChem (CID 5146689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).