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

C14H15N3O2 — CID 15563754

IUPAC(3S,6S)-3-(1H-indol-3-ylmethyl)-6-methylpiperazine-2,5-dione
SMILESC[C@@H]1NC(=O)[C@H](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)/t8-,12-/m0/s1
InChIKeyVDMMFAOUINDEGC-UFBFGSQYSA-N
MW257.29 g/mol
LogP0.71
Rot. Bonds2

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

(3S,6S)-3-(1H-indol-3-ylmethyl)-6-methylpiperazine-2,5-dione (PubChem CID 15563754) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is (3S,6S)-3-(1H-indol-3-ylmethyl)-6-methylpiperazine-2,5-dione.

Molecular Properties

Compound Name(3S,6S)-3-(1H-indol-3-ylmethyl)-6-methylpiperazine-2,5-dione
PubChem CID15563754
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC Name(3S,6S)-3-(1H-indol-3-ylmethyl)-6-methylpiperazine-2,5-dione
SMILESC[C@@H]1NC(=O)[C@H](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)/t8-,12-/m0/s1
InChIKeyVDMMFAOUINDEGC-UFBFGSQYSA-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

Analyze (3S,6S)-3-(1H-indol-3-ylmethyl)-6-methylpiperazine-2,5-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3S,6S)-3-(1H-indol-3-ylmethyl)-6-methylpiperazine-2,5-dione?
The IUPAC name of (3S,6S)-3-(1H-indol-3-ylmethyl)-6-methylpiperazine-2,5-dione (CID 15563754) is (3S,6S)-3-(1H-indol-3-ylmethyl)-6-methylpiperazine-2,5-dione.
What is the SMILES notation for (3S,6S)-3-(1H-indol-3-ylmethyl)-6-methylpiperazine-2,5-dione?
The canonical SMILES for (3S,6S)-3-(1H-indol-3-ylmethyl)-6-methylpiperazine-2,5-dione is C[C@@H]1NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O.
What is the InChIKey of (3S,6S)-3-(1H-indol-3-ylmethyl)-6-methylpiperazine-2,5-dione?
The InChIKey is VDMMFAOUINDEGC-UFBFGSQYSA-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)/t8-,12-/m0/s1.
What are the key properties of (3S,6S)-3-(1H-indol-3-ylmethyl)-6-methylpiperazine-2,5-dione?
(3S,6S)-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 (3S,6S)-3-(1H-indol-3-ylmethyl)-6-methylpiperazine-2,5-dione is sourced from PubChem (CID 15563754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).