(3,4-dimethylpiperazin-1-yl)-(4,5,6,7-tetrahydro-1H-indol-2-yl)methanone

C15H23N3O — CID 70938079

IUPAC(3,4-dimethylpiperazin-1-yl)-(4,5,6,7-tetrahydro-1H-indol-2-yl)methanone
SMILESCC1CN(C(=O)c2cc3c([nH]2)CCCC3)CCN1C
InChIInChI=1S/C15H23N3O/c1-11-10-18(8-7-17(11)2)15(19)14-9-12-5-3-4-6-13(12)16-14/h9,11,16H,3-8,10H2,1-2H3
InChIKeyBVOQASOIZCCQLR-UHFFFAOYSA-N
MW261.37 g/mol
LogP1.67
Rot. Bonds1

About (3,4-dimethylpiperazin-1-yl)-(4,5,6,7-tetrahydro-1H-indol-2-yl)methanone

(3,4-dimethylpiperazin-1-yl)-(4,5,6,7-tetrahydro-1H-indol-2-yl)methanone (PubChem CID 70938079) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is (3,4-dimethylpiperazin-1-yl)-(4,5,6,7-tetrahydro-1H-indol-2-yl)methanone.

Molecular Properties

Compound Name(3,4-dimethylpiperazin-1-yl)-(4,5,6,7-tetrahydro-1H-indol-2-yl)methanone
PubChem CID70938079
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name(3,4-dimethylpiperazin-1-yl)-(4,5,6,7-tetrahydro-1H-indol-2-yl)methanone
SMILESCC1CN(C(=O)c2cc3c([nH]2)CCCC3)CCN1C
InChIInChI=1S/C15H23N3O/c1-11-10-18(8-7-17(11)2)15(19)14-9-12-5-3-4-6-13(12)16-14/h9,11,16H,3-8,10H2,1-2H3
InChIKeyBVOQASOIZCCQLR-UHFFFAOYSA-N
XLogP1.67
TPSA39.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3,4-dimethylpiperazin-1-yl)-(4,5,6,7-tetrahydro-1H-indol-2-yl)methanone?
The IUPAC name of (3,4-dimethylpiperazin-1-yl)-(4,5,6,7-tetrahydro-1H-indol-2-yl)methanone (CID 70938079) is (3,4-dimethylpiperazin-1-yl)-(4,5,6,7-tetrahydro-1H-indol-2-yl)methanone.
What is the SMILES notation for (3,4-dimethylpiperazin-1-yl)-(4,5,6,7-tetrahydro-1H-indol-2-yl)methanone?
The canonical SMILES for (3,4-dimethylpiperazin-1-yl)-(4,5,6,7-tetrahydro-1H-indol-2-yl)methanone is CC1CN(C(=O)c2cc3c([nH]2)CCCC3)CCN1C.
What is the InChIKey of (3,4-dimethylpiperazin-1-yl)-(4,5,6,7-tetrahydro-1H-indol-2-yl)methanone?
The InChIKey is BVOQASOIZCCQLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-11-10-18(8-7-17(11)2)15(19)14-9-12-5-3-4-6-13(12)16-14/h9,11,16H,3-8,10H2,1-2H3.
What are the key properties of (3,4-dimethylpiperazin-1-yl)-(4,5,6,7-tetrahydro-1H-indol-2-yl)methanone?
(3,4-dimethylpiperazin-1-yl)-(4,5,6,7-tetrahydro-1H-indol-2-yl)methanone has a molecular weight of 261.37 g/mol, XLogP of 1.67, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dimethylpiperazin-1-yl)-(4,5,6,7-tetrahydro-1H-indol-2-yl)methanone is sourced from PubChem (CID 70938079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).