(1,5-dimethylindol-3-yl)-piperidin-4-ylmethanone

C16H20N2O — CID 82499713

IUPAC(1,5-dimethylindol-3-yl)-piperidin-4-ylmethanone
SMILESCc1ccc2c(c1)c(C(=O)C1CCNCC1)cn2C
InChIInChI=1S/C16H20N2O/c1-11-3-4-15-13(9-11)14(10-18(15)2)16(19)12-5-7-17-8-6-12/h3-4,9-10,12,17H,5-8H2,1-2H3
InChIKeyOTTOIIBBQLSJMN-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.67
Rot. Bonds2

About (1,5-dimethylindol-3-yl)-piperidin-4-ylmethanone

(1,5-dimethylindol-3-yl)-piperidin-4-ylmethanone (PubChem CID 82499713) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is (1,5-dimethylindol-3-yl)-piperidin-4-ylmethanone.

Molecular Properties

Compound Name(1,5-dimethylindol-3-yl)-piperidin-4-ylmethanone
PubChem CID82499713
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name(1,5-dimethylindol-3-yl)-piperidin-4-ylmethanone
SMILESCc1ccc2c(c1)c(C(=O)C1CCNCC1)cn2C
InChIInChI=1S/C16H20N2O/c1-11-3-4-15-13(9-11)14(10-18(15)2)16(19)12-5-7-17-8-6-12/h3-4,9-10,12,17H,5-8H2,1-2H3
InChIKeyOTTOIIBBQLSJMN-UHFFFAOYSA-N
XLogP2.67
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1,5-dimethylindol-3-yl)-piperidin-4-ylmethanone?
The IUPAC name of (1,5-dimethylindol-3-yl)-piperidin-4-ylmethanone (CID 82499713) is (1,5-dimethylindol-3-yl)-piperidin-4-ylmethanone.
What is the SMILES notation for (1,5-dimethylindol-3-yl)-piperidin-4-ylmethanone?
The canonical SMILES for (1,5-dimethylindol-3-yl)-piperidin-4-ylmethanone is Cc1ccc2c(c1)c(C(=O)C1CCNCC1)cn2C.
What is the InChIKey of (1,5-dimethylindol-3-yl)-piperidin-4-ylmethanone?
The InChIKey is OTTOIIBBQLSJMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-11-3-4-15-13(9-11)14(10-18(15)2)16(19)12-5-7-17-8-6-12/h3-4,9-10,12,17H,5-8H2,1-2H3.
What are the key properties of (1,5-dimethylindol-3-yl)-piperidin-4-ylmethanone?
(1,5-dimethylindol-3-yl)-piperidin-4-ylmethanone has a molecular weight of 256.35 g/mol, XLogP of 2.67, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1,5-dimethylindol-3-yl)-piperidin-4-ylmethanone is sourced from PubChem (CID 82499713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).