1-[(4,7-dimethyl-1H-indol-3-yl)methyl]piperazin-2-one

C15H19N3O — CID 84636672

IUPAC1-[(4,7-dimethyl-1H-indol-3-yl)methyl]piperazin-2-one
SMILESCc1ccc(C)c2c(CN3CCNCC3=O)c[nH]c12
InChIInChI=1S/C15H19N3O/c1-10-3-4-11(2)15-14(10)12(7-17-15)9-18-6-5-16-8-13(18)19/h3-4,7,16-17H,5-6,8-9H2,1-2H3
InChIKeyDBTFCSUBKJCCMW-UHFFFAOYSA-N
MW257.34 g/mol
LogP1.72
Rot. Bonds2

About 1-[(4,7-dimethyl-1H-indol-3-yl)methyl]piperazin-2-one

1-[(4,7-dimethyl-1H-indol-3-yl)methyl]piperazin-2-one (PubChem CID 84636672) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 1-[(4,7-dimethyl-1H-indol-3-yl)methyl]piperazin-2-one.

Molecular Properties

Compound Name1-[(4,7-dimethyl-1H-indol-3-yl)methyl]piperazin-2-one
PubChem CID84636672
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name1-[(4,7-dimethyl-1H-indol-3-yl)methyl]piperazin-2-one
SMILESCc1ccc(C)c2c(CN3CCNCC3=O)c[nH]c12
InChIInChI=1S/C15H19N3O/c1-10-3-4-11(2)15-14(10)12(7-17-15)9-18-6-5-16-8-13(18)19/h3-4,7,16-17H,5-6,8-9H2,1-2H3
InChIKeyDBTFCSUBKJCCMW-UHFFFAOYSA-N
XLogP1.72
TPSA48.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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Fce 23884
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Frequently Asked Questions

What is the IUPAC name of 1-[(4,7-dimethyl-1H-indol-3-yl)methyl]piperazin-2-one?
The IUPAC name of 1-[(4,7-dimethyl-1H-indol-3-yl)methyl]piperazin-2-one (CID 84636672) is 1-[(4,7-dimethyl-1H-indol-3-yl)methyl]piperazin-2-one.
What is the SMILES notation for 1-[(4,7-dimethyl-1H-indol-3-yl)methyl]piperazin-2-one?
The canonical SMILES for 1-[(4,7-dimethyl-1H-indol-3-yl)methyl]piperazin-2-one is Cc1ccc(C)c2c(CN3CCNCC3=O)c[nH]c12.
What is the InChIKey of 1-[(4,7-dimethyl-1H-indol-3-yl)methyl]piperazin-2-one?
The InChIKey is DBTFCSUBKJCCMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-10-3-4-11(2)15-14(10)12(7-17-15)9-18-6-5-16-8-13(18)19/h3-4,7,16-17H,5-6,8-9H2,1-2H3.
What are the key properties of 1-[(4,7-dimethyl-1H-indol-3-yl)methyl]piperazin-2-one?
1-[(4,7-dimethyl-1H-indol-3-yl)methyl]piperazin-2-one has a molecular weight of 257.34 g/mol, XLogP of 1.72, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4,7-dimethyl-1H-indol-3-yl)methyl]piperazin-2-one is sourced from PubChem (CID 84636672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).