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

CID 6918837
CID 6918837
CID 107838
CID 107838
CID 9828911
CID 9828911
CID 121896
CID 121896
CID 160510
CID 160510
CID 70547
CID 70547
CID 99652
CID 99652
CID 65898
CID 65898
CID 9996305
CID 9996305
CID 122162
CID 122162
CID 132496
CID 132496
CID 181513
CID 181513

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).