6-(2,6-dimethoxyphenyl)-1-[(4-propoxyphenyl)methyl]piperidin-2-one

C23H29NO4 — CID 69085230

IUPAC6-(2,6-dimethoxyphenyl)-1-[(4-propoxyphenyl)methyl]piperidin-2-one
SMILESCCCOc1ccc(CN2C(=O)CCCC2c2c(OC)cccc2OC)cc1
InChIInChI=1S/C23H29NO4/c1-4-15-28-18-13-11-17(12-14-18)16-24-19(7-5-10-22(24)25)23-20(26-2)8-6-9-21(23)27-3/h6,8-9,11-14,19H,4-5,7,10,15-16H2,1-3H3
InChIKeyTVKIFJXIZXJTCQ-UHFFFAOYSA-N
MW383.49 g/mol
LogP4.75
Rot. Bonds8

About 6-(2,6-dimethoxyphenyl)-1-[(4-propoxyphenyl)methyl]piperidin-2-one

6-(2,6-dimethoxyphenyl)-1-[(4-propoxyphenyl)methyl]piperidin-2-one (PubChem CID 69085230) has the molecular formula C23H29NO4 and a molecular weight of 383.49 g/mol. Its IUPAC name is 6-(2,6-dimethoxyphenyl)-1-[(4-propoxyphenyl)methyl]piperidin-2-one.

Molecular Properties

Compound Name6-(2,6-dimethoxyphenyl)-1-[(4-propoxyphenyl)methyl]piperidin-2-one
PubChem CID69085230
Molecular FormulaC23H29NO4
Molecular Weight383.49 g/mol
Exact Mass383.21
IUPAC Name6-(2,6-dimethoxyphenyl)-1-[(4-propoxyphenyl)methyl]piperidin-2-one
SMILESCCCOc1ccc(CN2C(=O)CCCC2c2c(OC)cccc2OC)cc1
InChIInChI=1S/C23H29NO4/c1-4-15-28-18-13-11-17(12-14-18)16-24-19(7-5-10-22(24)25)23-20(26-2)8-6-9-21(23)27-3/h6,8-9,11-14,19H,4-5,7,10,15-16H2,1-3H3
InChIKeyTVKIFJXIZXJTCQ-UHFFFAOYSA-N
XLogP4.75
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.49
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(2,6-dimethoxyphenyl)-1-[(4-propoxyphenyl)methyl]piperidin-2-one?
The IUPAC name of 6-(2,6-dimethoxyphenyl)-1-[(4-propoxyphenyl)methyl]piperidin-2-one (CID 69085230) is 6-(2,6-dimethoxyphenyl)-1-[(4-propoxyphenyl)methyl]piperidin-2-one.
What is the SMILES notation for 6-(2,6-dimethoxyphenyl)-1-[(4-propoxyphenyl)methyl]piperidin-2-one?
The canonical SMILES for 6-(2,6-dimethoxyphenyl)-1-[(4-propoxyphenyl)methyl]piperidin-2-one is CCCOc1ccc(CN2C(=O)CCCC2c2c(OC)cccc2OC)cc1.
What is the InChIKey of 6-(2,6-dimethoxyphenyl)-1-[(4-propoxyphenyl)methyl]piperidin-2-one?
The InChIKey is TVKIFJXIZXJTCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29NO4/c1-4-15-28-18-13-11-17(12-14-18)16-24-19(7-5-10-22(24)25)23-20(26-2)8-6-9-21(23)27-3/h6,8-9,11-14,19H,4-5,7,10,15-16H2,1-3H3.
What are the key properties of 6-(2,6-dimethoxyphenyl)-1-[(4-propoxyphenyl)methyl]piperidin-2-one?
6-(2,6-dimethoxyphenyl)-1-[(4-propoxyphenyl)methyl]piperidin-2-one has a molecular weight of 383.49 g/mol, XLogP of 4.75, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,6-dimethoxyphenyl)-1-[(4-propoxyphenyl)methyl]piperidin-2-one is sourced from PubChem (CID 69085230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).