1-carbazol-9-yl-2-[(2R)-2-methylpiperidin-1-yl]ethanone

C20H22N2O — CID 754137

IUPAC1-carbazol-9-yl-2-[(2R)-2-methylpiperidin-1-yl]ethanone
SMILESC[C@@H]1CCCCN1CC(=O)n1c2ccccc2c2ccccc21
InChIInChI=1S/C20H22N2O/c1-15-8-6-7-13-21(15)14-20(23)22-18-11-4-2-9-16(18)17-10-3-5-12-19(17)22/h2-5,9-12,15H,6-8,13-14H2,1H3/t15-/m1/s1
InChIKeyLWLHEWKCUGKMBK-OAHLLOKOSA-N
MW306.41 g/mol
LogP4.31
Rot. Bonds2

About 1-carbazol-9-yl-2-[(2R)-2-methylpiperidin-1-yl]ethanone

1-carbazol-9-yl-2-[(2R)-2-methylpiperidin-1-yl]ethanone (PubChem CID 754137) has the molecular formula C20H22N2O and a molecular weight of 306.41 g/mol. Its IUPAC name is 1-carbazol-9-yl-2-[(2R)-2-methylpiperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-carbazol-9-yl-2-[(2R)-2-methylpiperidin-1-yl]ethanone
PubChem CID754137
Molecular FormulaC20H22N2O
Molecular Weight306.41 g/mol
Exact Mass306.17
IUPAC Name1-carbazol-9-yl-2-[(2R)-2-methylpiperidin-1-yl]ethanone
SMILESC[C@@H]1CCCCN1CC(=O)n1c2ccccc2c2ccccc21
InChIInChI=1S/C20H22N2O/c1-15-8-6-7-13-21(15)14-20(23)22-18-11-4-2-9-16(18)17-10-3-5-12-19(17)22/h2-5,9-12,15H,6-8,13-14H2,1H3/t15-/m1/s1
InChIKeyLWLHEWKCUGKMBK-OAHLLOKOSA-N
XLogP4.31
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-carbazol-9-yl-2-[(2R)-2-methylpiperidin-1-yl]ethanone?
The IUPAC name of 1-carbazol-9-yl-2-[(2R)-2-methylpiperidin-1-yl]ethanone (CID 754137) is 1-carbazol-9-yl-2-[(2R)-2-methylpiperidin-1-yl]ethanone.
What is the SMILES notation for 1-carbazol-9-yl-2-[(2R)-2-methylpiperidin-1-yl]ethanone?
The canonical SMILES for 1-carbazol-9-yl-2-[(2R)-2-methylpiperidin-1-yl]ethanone is C[C@@H]1CCCCN1CC(=O)n1c2ccccc2c2ccccc21.
What is the InChIKey of 1-carbazol-9-yl-2-[(2R)-2-methylpiperidin-1-yl]ethanone?
The InChIKey is LWLHEWKCUGKMBK-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H22N2O/c1-15-8-6-7-13-21(15)14-20(23)22-18-11-4-2-9-16(18)17-10-3-5-12-19(17)22/h2-5,9-12,15H,6-8,13-14H2,1H3/t15-/m1/s1.
What are the key properties of 1-carbazol-9-yl-2-[(2R)-2-methylpiperidin-1-yl]ethanone?
1-carbazol-9-yl-2-[(2R)-2-methylpiperidin-1-yl]ethanone has a molecular weight of 306.41 g/mol, XLogP of 4.31, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-carbazol-9-yl-2-[(2R)-2-methylpiperidin-1-yl]ethanone is sourced from PubChem (CID 754137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).