3-(1H-indol-3-ylmethyl)-6-methylpiperazine-2,5-dione

C14H15N3O2 — CID 15563753

IUPAC3-(1H-indol-3-ylmethyl)-6-methylpiperazine-2,5-dione
SMILESCC1NC(=O)C(Cc2c[nH]c3ccccc23)NC1=O
InChIInChI=1S/C14H15N3O2/c1-8-13(18)17-12(14(19)16-8)6-9-7-15-11-5-3-2-4-10(9)11/h2-5,7-8,12,15H,6H2,1H3,(H,16,19)(H,17,18)
InChIKeyVDMMFAOUINDEGC-UHFFFAOYSA-N
MW257.29 g/mol
LogP0.71
Rot. Bonds2

About 3-(1H-indol-3-ylmethyl)-6-methylpiperazine-2,5-dione

3-(1H-indol-3-ylmethyl)-6-methylpiperazine-2,5-dione (PubChem CID 15563753) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is 3-(1H-indol-3-ylmethyl)-6-methylpiperazine-2,5-dione.

Molecular Properties

Compound Name3-(1H-indol-3-ylmethyl)-6-methylpiperazine-2,5-dione
PubChem CID15563753
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC Name3-(1H-indol-3-ylmethyl)-6-methylpiperazine-2,5-dione
SMILESCC1NC(=O)C(Cc2c[nH]c3ccccc23)NC1=O
InChIInChI=1S/C14H15N3O2/c1-8-13(18)17-12(14(19)16-8)6-9-7-15-11-5-3-2-4-10(9)11/h2-5,7-8,12,15H,6H2,1H3,(H,16,19)(H,17,18)
InChIKeyVDMMFAOUINDEGC-UHFFFAOYSA-N
XLogP0.71
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 50.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(1H-indol-3-ylmethyl)-6-methylpiperazine-2,5-dione?
The IUPAC name of 3-(1H-indol-3-ylmethyl)-6-methylpiperazine-2,5-dione (CID 15563753) is 3-(1H-indol-3-ylmethyl)-6-methylpiperazine-2,5-dione.
What is the SMILES notation for 3-(1H-indol-3-ylmethyl)-6-methylpiperazine-2,5-dione?
The canonical SMILES for 3-(1H-indol-3-ylmethyl)-6-methylpiperazine-2,5-dione is CC1NC(=O)C(Cc2c[nH]c3ccccc23)NC1=O.
What is the InChIKey of 3-(1H-indol-3-ylmethyl)-6-methylpiperazine-2,5-dione?
The InChIKey is VDMMFAOUINDEGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2/c1-8-13(18)17-12(14(19)16-8)6-9-7-15-11-5-3-2-4-10(9)11/h2-5,7-8,12,15H,6H2,1H3,(H,16,19)(H,17,18).
What are the key properties of 3-(1H-indol-3-ylmethyl)-6-methylpiperazine-2,5-dione?
3-(1H-indol-3-ylmethyl)-6-methylpiperazine-2,5-dione has a molecular weight of 257.29 g/mol, XLogP of 0.71, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-indol-3-ylmethyl)-6-methylpiperazine-2,5-dione is sourced from PubChem (CID 15563753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).