2-methyl-1-[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]indole-3-carbaldehyde

C18H22N2O2 — CID 7098941

IUPAC2-methyl-1-[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]indole-3-carbaldehyde
SMILESCc1c(C=O)c2ccccc2n1CC(=O)N1CCCC[C@H]1C
InChIInChI=1S/C18H22N2O2/c1-13-7-5-6-10-19(13)18(22)11-20-14(2)16(12-21)15-8-3-4-9-17(15)20/h3-4,8-9,12-13H,5-7,10-11H2,1-2H3/t13-/m1/s1
InChIKeyGYUYIADPDHJUDX-CYBMUJFWSA-N
MW298.39 g/mol
LogP3.16
Rot. Bonds3

About 2-methyl-1-[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]indole-3-carbaldehyde

2-methyl-1-[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]indole-3-carbaldehyde (PubChem CID 7098941) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is 2-methyl-1-[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]indole-3-carbaldehyde.

Molecular Properties

Compound Name2-methyl-1-[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]indole-3-carbaldehyde
PubChem CID7098941
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC Name2-methyl-1-[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]indole-3-carbaldehyde
SMILESCc1c(C=O)c2ccccc2n1CC(=O)N1CCCC[C@H]1C
InChIInChI=1S/C18H22N2O2/c1-13-7-5-6-10-19(13)18(22)11-20-14(2)16(12-21)15-8-3-4-9-17(15)20/h3-4,8-9,12-13H,5-7,10-11H2,1-2H3/t13-/m1/s1
InChIKeyGYUYIADPDHJUDX-CYBMUJFWSA-N
XLogP3.16
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze 2-methyl-1-[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]indole-3-carbaldehyde 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 2-methyl-1-[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]indole-3-carbaldehyde?
The IUPAC name of 2-methyl-1-[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]indole-3-carbaldehyde (CID 7098941) is 2-methyl-1-[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]indole-3-carbaldehyde.
What is the SMILES notation for 2-methyl-1-[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]indole-3-carbaldehyde?
The canonical SMILES for 2-methyl-1-[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]indole-3-carbaldehyde is Cc1c(C=O)c2ccccc2n1CC(=O)N1CCCC[C@H]1C.
What is the InChIKey of 2-methyl-1-[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]indole-3-carbaldehyde?
The InChIKey is GYUYIADPDHJUDX-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H22N2O2/c1-13-7-5-6-10-19(13)18(22)11-20-14(2)16(12-21)15-8-3-4-9-17(15)20/h3-4,8-9,12-13H,5-7,10-11H2,1-2H3/t13-/m1/s1.
What are the key properties of 2-methyl-1-[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]indole-3-carbaldehyde?
2-methyl-1-[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]indole-3-carbaldehyde has a molecular weight of 298.39 g/mol, XLogP of 3.16, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]indole-3-carbaldehyde is sourced from PubChem (CID 7098941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).