(2,3-dimethyl-1H-indol-5-yl)-piperidin-1-ylmethanone

C16H20N2O — CID 717001

IUPAC(2,3-dimethyl-1H-indol-5-yl)-piperidin-1-ylmethanone
SMILESCc1[nH]c2ccc(C(=O)N3CCCCC3)cc2c1C
InChIInChI=1S/C16H20N2O/c1-11-12(2)17-15-7-6-13(10-14(11)15)16(19)18-8-4-3-5-9-18/h6-7,10,17H,3-5,8-9H2,1-2H3
InChIKeyFCWKZFNVSZPWGE-UHFFFAOYSA-N
MW256.35 g/mol
LogP3.41
Rot. Bonds1

About (2,3-dimethyl-1H-indol-5-yl)-piperidin-1-ylmethanone

(2,3-dimethyl-1H-indol-5-yl)-piperidin-1-ylmethanone (PubChem CID 717001) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is (2,3-dimethyl-1H-indol-5-yl)-piperidin-1-ylmethanone.

Molecular Properties

Compound Name(2,3-dimethyl-1H-indol-5-yl)-piperidin-1-ylmethanone
PubChem CID717001
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name(2,3-dimethyl-1H-indol-5-yl)-piperidin-1-ylmethanone
SMILESCc1[nH]c2ccc(C(=O)N3CCCCC3)cc2c1C
InChIInChI=1S/C16H20N2O/c1-11-12(2)17-15-7-6-13(10-14(11)15)16(19)18-8-4-3-5-9-18/h6-7,10,17H,3-5,8-9H2,1-2H3
InChIKeyFCWKZFNVSZPWGE-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2,3-dimethyl-1H-indol-5-yl)-piperidin-1-ylmethanone?
The IUPAC name of (2,3-dimethyl-1H-indol-5-yl)-piperidin-1-ylmethanone (CID 717001) is (2,3-dimethyl-1H-indol-5-yl)-piperidin-1-ylmethanone.
What is the SMILES notation for (2,3-dimethyl-1H-indol-5-yl)-piperidin-1-ylmethanone?
The canonical SMILES for (2,3-dimethyl-1H-indol-5-yl)-piperidin-1-ylmethanone is Cc1[nH]c2ccc(C(=O)N3CCCCC3)cc2c1C.
What is the InChIKey of (2,3-dimethyl-1H-indol-5-yl)-piperidin-1-ylmethanone?
The InChIKey is FCWKZFNVSZPWGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-11-12(2)17-15-7-6-13(10-14(11)15)16(19)18-8-4-3-5-9-18/h6-7,10,17H,3-5,8-9H2,1-2H3.
What are the key properties of (2,3-dimethyl-1H-indol-5-yl)-piperidin-1-ylmethanone?
(2,3-dimethyl-1H-indol-5-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 (2,3-dimethyl-1H-indol-5-yl)-piperidin-1-ylmethanone is sourced from PubChem (CID 717001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).