(3R)-3-(1H-indol-2-ylmethyl)piperazine-2,6-dione

C13H13N3O2 — CID 177371446

IUPAC(3R)-3-(1H-indol-2-ylmethyl)piperazine-2,6-dione
SMILESO=C1CN[C@H](Cc2cc3ccccc3[nH]2)C(=O)N1
InChIInChI=1S/C13H13N3O2/c17-12-7-14-11(13(18)16-12)6-9-5-8-3-1-2-4-10(8)15-9/h1-5,11,14-15H,6-7H2,(H,16,17,18)/t11-/m1/s1
InChIKeySJZZJVUINDAWJS-LLVKDONJSA-N
MW243.27 g/mol
LogP0.32
Rot. Bonds2

About (3R)-3-(1H-indol-2-ylmethyl)piperazine-2,6-dione

(3R)-3-(1H-indol-2-ylmethyl)piperazine-2,6-dione (PubChem CID 177371446) has the molecular formula C13H13N3O2 and a molecular weight of 243.27 g/mol. Its IUPAC name is (3R)-3-(1H-indol-2-ylmethyl)piperazine-2,6-dione.

Molecular Properties

Compound Name(3R)-3-(1H-indol-2-ylmethyl)piperazine-2,6-dione
PubChem CID177371446
Molecular FormulaC13H13N3O2
Molecular Weight243.27 g/mol
Exact Mass243.10
IUPAC Name(3R)-3-(1H-indol-2-ylmethyl)piperazine-2,6-dione
SMILESO=C1CN[C@H](Cc2cc3ccccc3[nH]2)C(=O)N1
InChIInChI=1S/C13H13N3O2/c17-12-7-14-11(13(18)16-12)6-9-5-8-3-1-2-4-10(8)15-9/h1-5,11,14-15H,6-7H2,(H,16,17,18)/t11-/m1/s1
InChIKeySJZZJVUINDAWJS-LLVKDONJSA-N
XLogP0.32
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 50.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

(4S)-4-(1H-indol-2-ylmethyl)-1,3-oxazolidine-2,5-dione
CID 58281045
(3S,6S)-3-(1H-imidazol-5-ylmethyl)-6-(1H-indol-2-ylmethyl)piperazine-2,5-dione
CID 102308600
6-(1H-indol-2-ylmethyl)-3,9-dimethyl-12-propan-2-yl-1,4,7,10,13-pentazacyclopentadecane-2,5,8,11,14-pentone
CID 163103698
4-(aminomethyl)-1-[2-(1H-indol-2-yl)ethyl]pyrrolidin-2-one
CID 168660253
4-amino-1-[2-(1H-indol-2-yl)ethyl]pyrrolidin-2-one
CID 168700196
methyl (2Z)-2-[(4S)-4-(1H-indol-2-ylmethyl)-2-oxo-3,4-dihydro-1H-1,3-benzodiazepin-5-ylidene]acetate
CID 10959370
3-(1H-indol-2-ylmethyl)-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 75447180
2-(2-fluoroethyl)-1H-indole
CID 142633825
1H-indol-2-ylmethanesulfonamide
CID 54351083
1-[2-(1H-indol-2-yl)ethyl]piperidin-2-one
CID 14090373
5-(hydroxyamino)-5-(1H-indol-2-ylmethyl)-1,3-diazinane-2,4,6-trione
CID 118541130
4-(azidomethyl)-1-[2-(1H-indol-2-yl)ethyl]pyrrolidin-2-one
CID 168657252

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(1H-indol-2-ylmethyl)piperazine-2,6-dione?
The IUPAC name of (3R)-3-(1H-indol-2-ylmethyl)piperazine-2,6-dione (CID 177371446) is (3R)-3-(1H-indol-2-ylmethyl)piperazine-2,6-dione.
What is the SMILES notation for (3R)-3-(1H-indol-2-ylmethyl)piperazine-2,6-dione?
The canonical SMILES for (3R)-3-(1H-indol-2-ylmethyl)piperazine-2,6-dione is O=C1CN[C@H](Cc2cc3ccccc3[nH]2)C(=O)N1.
What is the InChIKey of (3R)-3-(1H-indol-2-ylmethyl)piperazine-2,6-dione?
The InChIKey is SJZZJVUINDAWJS-LLVKDONJSA-N. The full InChI is InChI=1S/C13H13N3O2/c17-12-7-14-11(13(18)16-12)6-9-5-8-3-1-2-4-10(8)15-9/h1-5,11,14-15H,6-7H2,(H,16,17,18)/t11-/m1/s1.
What are the key properties of (3R)-3-(1H-indol-2-ylmethyl)piperazine-2,6-dione?
(3R)-3-(1H-indol-2-ylmethyl)piperazine-2,6-dione has a molecular weight of 243.27 g/mol, XLogP of 0.32, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(1H-indol-2-ylmethyl)piperazine-2,6-dione is sourced from PubChem (CID 177371446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).