(1,2-dimethylindol-3-yl)-piperazin-1-ylmethanone

C15H19N3O — CID 82300062

IUPAC(1,2-dimethylindol-3-yl)-piperazin-1-ylmethanone
SMILESCc1c(C(=O)N2CCNCC2)c2ccccc2n1C
InChIInChI=1S/C15H19N3O/c1-11-14(15(19)18-9-7-16-8-10-18)12-5-3-4-6-13(12)17(11)2/h3-6,16H,7-10H2,1-2H3
InChIKeyYXEZPKRPCCPVPV-UHFFFAOYSA-N
MW257.34 g/mol
LogP1.53
Rot. Bonds1

About (1,2-dimethylindol-3-yl)-piperazin-1-ylmethanone

(1,2-dimethylindol-3-yl)-piperazin-1-ylmethanone (PubChem CID 82300062) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is (1,2-dimethylindol-3-yl)-piperazin-1-ylmethanone.

Molecular Properties

Compound Name(1,2-dimethylindol-3-yl)-piperazin-1-ylmethanone
PubChem CID82300062
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name(1,2-dimethylindol-3-yl)-piperazin-1-ylmethanone
SMILESCc1c(C(=O)N2CCNCC2)c2ccccc2n1C
InChIInChI=1S/C15H19N3O/c1-11-14(15(19)18-9-7-16-8-10-18)12-5-3-4-6-13(12)17(11)2/h3-6,16H,7-10H2,1-2H3
InChIKeyYXEZPKRPCCPVPV-UHFFFAOYSA-N
XLogP1.53
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1,2-dimethylindol-3-yl)-piperazin-1-ylmethanone?
The IUPAC name of (1,2-dimethylindol-3-yl)-piperazin-1-ylmethanone (CID 82300062) is (1,2-dimethylindol-3-yl)-piperazin-1-ylmethanone.
What is the SMILES notation for (1,2-dimethylindol-3-yl)-piperazin-1-ylmethanone?
The canonical SMILES for (1,2-dimethylindol-3-yl)-piperazin-1-ylmethanone is Cc1c(C(=O)N2CCNCC2)c2ccccc2n1C.
What is the InChIKey of (1,2-dimethylindol-3-yl)-piperazin-1-ylmethanone?
The InChIKey is YXEZPKRPCCPVPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-11-14(15(19)18-9-7-16-8-10-18)12-5-3-4-6-13(12)17(11)2/h3-6,16H,7-10H2,1-2H3.
What are the key properties of (1,2-dimethylindol-3-yl)-piperazin-1-ylmethanone?
(1,2-dimethylindol-3-yl)-piperazin-1-ylmethanone has a molecular weight of 257.34 g/mol, XLogP of 1.53, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1,2-dimethylindol-3-yl)-piperazin-1-ylmethanone is sourced from PubChem (CID 82300062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).