(4,6-dimethyl-1H-indol-2-yl)-piperidin-1-ylmethanone

C16H20N2O — CID 46663440

IUPAC(4,6-dimethyl-1H-indol-2-yl)-piperidin-1-ylmethanone
SMILESCc1cc(C)c2cc(C(=O)N3CCCCC3)[nH]c2c1
InChIInChI=1S/C16H20N2O/c1-11-8-12(2)13-10-15(17-14(13)9-11)16(19)18-6-4-3-5-7-18/h8-10,17H,3-7H2,1-2H3
InChIKeyDAAYAZVBPUEEBW-UHFFFAOYSA-N
MW256.35 g/mol
LogP3.41
Rot. Bonds1

About (4,6-dimethyl-1H-indol-2-yl)-piperidin-1-ylmethanone

(4,6-dimethyl-1H-indol-2-yl)-piperidin-1-ylmethanone (PubChem CID 46663440) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is (4,6-dimethyl-1H-indol-2-yl)-piperidin-1-ylmethanone.

Molecular Properties

Compound Name(4,6-dimethyl-1H-indol-2-yl)-piperidin-1-ylmethanone
PubChem CID46663440
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name(4,6-dimethyl-1H-indol-2-yl)-piperidin-1-ylmethanone
SMILESCc1cc(C)c2cc(C(=O)N3CCCCC3)[nH]c2c1
InChIInChI=1S/C16H20N2O/c1-11-8-12(2)13-10-15(17-14(13)9-11)16(19)18-6-4-3-5-7-18/h8-10,17H,3-7H2,1-2H3
InChIKeyDAAYAZVBPUEEBW-UHFFFAOYSA-N
XLogP3.41
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (4,6-dimethyl-1H-indol-2-yl)-piperidin-1-ylmethanone 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 (4,6-dimethyl-1H-indol-2-yl)-piperidin-1-ylmethanone?
The IUPAC name of (4,6-dimethyl-1H-indol-2-yl)-piperidin-1-ylmethanone (CID 46663440) is (4,6-dimethyl-1H-indol-2-yl)-piperidin-1-ylmethanone.
What is the SMILES notation for (4,6-dimethyl-1H-indol-2-yl)-piperidin-1-ylmethanone?
The canonical SMILES for (4,6-dimethyl-1H-indol-2-yl)-piperidin-1-ylmethanone is Cc1cc(C)c2cc(C(=O)N3CCCCC3)[nH]c2c1.
What is the InChIKey of (4,6-dimethyl-1H-indol-2-yl)-piperidin-1-ylmethanone?
The InChIKey is DAAYAZVBPUEEBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-11-8-12(2)13-10-15(17-14(13)9-11)16(19)18-6-4-3-5-7-18/h8-10,17H,3-7H2,1-2H3.
What are the key properties of (4,6-dimethyl-1H-indol-2-yl)-piperidin-1-ylmethanone?
(4,6-dimethyl-1H-indol-2-yl)-piperidin-1-ylmethanone has a molecular weight of 256.35 g/mol, XLogP of 3.41, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4,6-dimethyl-1H-indol-2-yl)-piperidin-1-ylmethanone is sourced from PubChem (CID 46663440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).