1-methyl-4-(1-propan-2-ylpiperidin-4-yl)piperazine-2,5-dione

C13H23N3O2 — CID 22980194

IUPAC1-methyl-4-(1-propan-2-ylpiperidin-4-yl)piperazine-2,5-dione
SMILESCC(C)N1CCC(N2CC(=O)N(C)CC2=O)CC1
InChIInChI=1S/C13H23N3O2/c1-10(2)15-6-4-11(5-7-15)16-9-12(17)14(3)8-13(16)18/h10-11H,4-9H2,1-3H3
InChIKeyCBRXEPNWBNRCSD-UHFFFAOYSA-N
MW253.35 g/mol
LogP0.16
Rot. Bonds2

About 1-methyl-4-(1-propan-2-ylpiperidin-4-yl)piperazine-2,5-dione

1-methyl-4-(1-propan-2-ylpiperidin-4-yl)piperazine-2,5-dione (PubChem CID 22980194) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is 1-methyl-4-(1-propan-2-ylpiperidin-4-yl)piperazine-2,5-dione.

Molecular Properties

Compound Name1-methyl-4-(1-propan-2-ylpiperidin-4-yl)piperazine-2,5-dione
PubChem CID22980194
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC Name1-methyl-4-(1-propan-2-ylpiperidin-4-yl)piperazine-2,5-dione
SMILESCC(C)N1CCC(N2CC(=O)N(C)CC2=O)CC1
InChIInChI=1S/C13H23N3O2/c1-10(2)15-6-4-11(5-7-15)16-9-12(17)14(3)8-13(16)18/h10-11H,4-9H2,1-3H3
InChIKeyCBRXEPNWBNRCSD-UHFFFAOYSA-N
XLogP0.16
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 50.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(1-propan-2-ylpiperidin-4-yl)piperazine-2,5-dione?
The IUPAC name of 1-methyl-4-(1-propan-2-ylpiperidin-4-yl)piperazine-2,5-dione (CID 22980194) is 1-methyl-4-(1-propan-2-ylpiperidin-4-yl)piperazine-2,5-dione.
What is the SMILES notation for 1-methyl-4-(1-propan-2-ylpiperidin-4-yl)piperazine-2,5-dione?
The canonical SMILES for 1-methyl-4-(1-propan-2-ylpiperidin-4-yl)piperazine-2,5-dione is CC(C)N1CCC(N2CC(=O)N(C)CC2=O)CC1.
What is the InChIKey of 1-methyl-4-(1-propan-2-ylpiperidin-4-yl)piperazine-2,5-dione?
The InChIKey is CBRXEPNWBNRCSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2/c1-10(2)15-6-4-11(5-7-15)16-9-12(17)14(3)8-13(16)18/h10-11H,4-9H2,1-3H3.
What are the key properties of 1-methyl-4-(1-propan-2-ylpiperidin-4-yl)piperazine-2,5-dione?
1-methyl-4-(1-propan-2-ylpiperidin-4-yl)piperazine-2,5-dione has a molecular weight of 253.35 g/mol, XLogP of 0.16, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(1-propan-2-ylpiperidin-4-yl)piperazine-2,5-dione is sourced from PubChem (CID 22980194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).