3-methyl-4-[(3-methyl-1H-indol-2-yl)methyl]-1-propylpiperazine-2,5-dione

C18H23N3O2 — CID 130265212

IUPAC3-methyl-4-[(3-methyl-1H-indol-2-yl)methyl]-1-propylpiperazine-2,5-dione
SMILESCCCN1CC(=O)N(Cc2[nH]c3ccccc3c2C)C(C)C1=O
InChIInChI=1S/C18H23N3O2/c1-4-9-20-11-17(22)21(13(3)18(20)23)10-16-12(2)14-7-5-6-8-15(14)19-16/h5-8,13,19H,4,9-11H2,1-3H3
InChIKeyQVDNCFPIUQFJQT-UHFFFAOYSA-N
MW313.40 g/mol
LogP2.45
Rot. Bonds4

About 3-methyl-4-[(3-methyl-1H-indol-2-yl)methyl]-1-propylpiperazine-2,5-dione

3-methyl-4-[(3-methyl-1H-indol-2-yl)methyl]-1-propylpiperazine-2,5-dione (PubChem CID 130265212) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is 3-methyl-4-[(3-methyl-1H-indol-2-yl)methyl]-1-propylpiperazine-2,5-dione.

Molecular Properties

Compound Name3-methyl-4-[(3-methyl-1H-indol-2-yl)methyl]-1-propylpiperazine-2,5-dione
PubChem CID130265212
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC Name3-methyl-4-[(3-methyl-1H-indol-2-yl)methyl]-1-propylpiperazine-2,5-dione
SMILESCCCN1CC(=O)N(Cc2[nH]c3ccccc3c2C)C(C)C1=O
InChIInChI=1S/C18H23N3O2/c1-4-9-20-11-17(22)21(13(3)18(20)23)10-16-12(2)14-7-5-6-8-15(14)19-16/h5-8,13,19H,4,9-11H2,1-3H3
InChIKeyQVDNCFPIUQFJQT-UHFFFAOYSA-N
XLogP2.45
TPSA56.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

(3R)-3-methyl-4-[(4-methylnaphthalen-1-yl)methyl]-1-propylpiperazine-2,5-dione
CID 165417469
(3S)-4-[(3,4-dimethylphenyl)methyl]-3-methyl-1-propylpiperazine-2,5-dione
CID 165420754
(3R)-3-methyl-4-[(2-phenylphenyl)methyl]-1-propylpiperazine-2,5-dione
CID 165420358
(3R)-3-methyl-4-[(6-methyl-2-pyridinyl)methyl]-1-propylpiperazine-2,5-dione
CID 165421687
(3R)-4-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-3-methyl-1-propylpiperazine-2,5-dione
CID 165425764
(3R)-4-[[3-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-3-methyl-1-propylpiperazine-2,5-dione
CID 165423592
(3S)-3-methyl-4-(2-phenylmethoxyethyl)-1-propylpiperazine-2,5-dione
CID 165423639
(3R)-4-[(1-benzylpiperidin-4-yl)methyl]-3-methyl-1-propylpiperazine-2,5-dione
CID 165424201
(3S)-4-[(4-methoxy-2-pyridinyl)methyl]-3-methyl-1-propylpiperazine-2,5-dione
CID 166620028
(3S)-4-[(3-chloro-5-fluorophenyl)methyl]-3-methyl-1-propylpiperazine-2,5-dione
CID 165426838
(3R)-4-[(2-chloro-4-fluorophenyl)methyl]-3-methyl-1-propylpiperazine-2,5-dione
CID 165422583
2-[(3-methyl-1H-indol-2-yl)methyl]isoindole-1,3-dione
CID 11623432

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-[(3-methyl-1H-indol-2-yl)methyl]-1-propylpiperazine-2,5-dione?
The IUPAC name of 3-methyl-4-[(3-methyl-1H-indol-2-yl)methyl]-1-propylpiperazine-2,5-dione (CID 130265212) is 3-methyl-4-[(3-methyl-1H-indol-2-yl)methyl]-1-propylpiperazine-2,5-dione.
What is the SMILES notation for 3-methyl-4-[(3-methyl-1H-indol-2-yl)methyl]-1-propylpiperazine-2,5-dione?
The canonical SMILES for 3-methyl-4-[(3-methyl-1H-indol-2-yl)methyl]-1-propylpiperazine-2,5-dione is CCCN1CC(=O)N(Cc2[nH]c3ccccc3c2C)C(C)C1=O.
What is the InChIKey of 3-methyl-4-[(3-methyl-1H-indol-2-yl)methyl]-1-propylpiperazine-2,5-dione?
The InChIKey is QVDNCFPIUQFJQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-4-9-20-11-17(22)21(13(3)18(20)23)10-16-12(2)14-7-5-6-8-15(14)19-16/h5-8,13,19H,4,9-11H2,1-3H3.
What are the key properties of 3-methyl-4-[(3-methyl-1H-indol-2-yl)methyl]-1-propylpiperazine-2,5-dione?
3-methyl-4-[(3-methyl-1H-indol-2-yl)methyl]-1-propylpiperazine-2,5-dione has a molecular weight of 313.40 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-[(3-methyl-1H-indol-2-yl)methyl]-1-propylpiperazine-2,5-dione is sourced from PubChem (CID 130265212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).