6-(2,6-dimethoxyphenyl)-1-[(9-methylcarbazol-3-yl)methyl]piperidin-2-one

C27H28N2O3 — CID 69082724

IUPAC6-(2,6-dimethoxyphenyl)-1-[(9-methylcarbazol-3-yl)methyl]piperidin-2-one
SMILESCOc1cccc(OC)c1C1CCCC(=O)N1Cc1ccc2c(c1)c1ccccc1n2C
InChIInChI=1S/C27H28N2O3/c1-28-21-9-5-4-8-19(21)20-16-18(14-15-22(20)28)17-29-23(10-6-13-26(29)30)27-24(31-2)11-7-12-25(27)32-3/h4-5,7-9,11-12,14-16,23H,6,10,13,17H2,1-3H3
InChIKeyXDDWWVVINWFDGM-UHFFFAOYSA-N
MW428.53 g/mol
LogP5.60
Rot. Bonds5

About 6-(2,6-dimethoxyphenyl)-1-[(9-methylcarbazol-3-yl)methyl]piperidin-2-one

6-(2,6-dimethoxyphenyl)-1-[(9-methylcarbazol-3-yl)methyl]piperidin-2-one (PubChem CID 69082724) has the molecular formula C27H28N2O3 and a molecular weight of 428.53 g/mol. Its IUPAC name is 6-(2,6-dimethoxyphenyl)-1-[(9-methylcarbazol-3-yl)methyl]piperidin-2-one.

Molecular Properties

Compound Name6-(2,6-dimethoxyphenyl)-1-[(9-methylcarbazol-3-yl)methyl]piperidin-2-one
PubChem CID69082724
Molecular FormulaC27H28N2O3
Molecular Weight428.53 g/mol
Exact Mass428.21
IUPAC Name6-(2,6-dimethoxyphenyl)-1-[(9-methylcarbazol-3-yl)methyl]piperidin-2-one
SMILESCOc1cccc(OC)c1C1CCCC(=O)N1Cc1ccc2c(c1)c1ccccc1n2C
InChIInChI=1S/C27H28N2O3/c1-28-21-9-5-4-8-19(21)20-16-18(14-15-22(20)28)17-29-23(10-6-13-26(29)30)27-24(31-2)11-7-12-25(27)32-3/h4-5,7-9,11-12,14-16,23H,6,10,13,17H2,1-3H3
InChIKeyXDDWWVVINWFDGM-UHFFFAOYSA-N
XLogP5.60
TPSA43.70 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.53
LogP ≤ 55.60
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-[(9-methylcarbazol-3-yl)methyl]piperidin-2-one?
The IUPAC name of 6-(2,6-dimethoxyphenyl)-1-[(9-methylcarbazol-3-yl)methyl]piperidin-2-one (CID 69082724) is 6-(2,6-dimethoxyphenyl)-1-[(9-methylcarbazol-3-yl)methyl]piperidin-2-one.
What is the SMILES notation for 6-(2,6-dimethoxyphenyl)-1-[(9-methylcarbazol-3-yl)methyl]piperidin-2-one?
The canonical SMILES for 6-(2,6-dimethoxyphenyl)-1-[(9-methylcarbazol-3-yl)methyl]piperidin-2-one is COc1cccc(OC)c1C1CCCC(=O)N1Cc1ccc2c(c1)c1ccccc1n2C.
What is the InChIKey of 6-(2,6-dimethoxyphenyl)-1-[(9-methylcarbazol-3-yl)methyl]piperidin-2-one?
The InChIKey is XDDWWVVINWFDGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N2O3/c1-28-21-9-5-4-8-19(21)20-16-18(14-15-22(20)28)17-29-23(10-6-13-26(29)30)27-24(31-2)11-7-12-25(27)32-3/h4-5,7-9,11-12,14-16,23H,6,10,13,17H2,1-3H3.
What are the key properties of 6-(2,6-dimethoxyphenyl)-1-[(9-methylcarbazol-3-yl)methyl]piperidin-2-one?
6-(2,6-dimethoxyphenyl)-1-[(9-methylcarbazol-3-yl)methyl]piperidin-2-one has a molecular weight of 428.53 g/mol, XLogP of 5.60, 5 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-[(9-methylcarbazol-3-yl)methyl]piperidin-2-one is sourced from PubChem (CID 69082724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).