3-cyclopropyl-6-methyl-6-phenyl-1-propan-2-ylpiperazine-2,5-dione

C17H22N2O2 — CID 64886030

IUPAC3-cyclopropyl-6-methyl-6-phenyl-1-propan-2-ylpiperazine-2,5-dione
SMILESCC(C)N1C(=O)C(C2CC2)NC(=O)C1(C)c1ccccc1
InChIInChI=1S/C17H22N2O2/c1-11(2)19-15(20)14(12-9-10-12)18-16(21)17(19,3)13-7-5-4-6-8-13/h4-8,11-12,14H,9-10H2,1-3H3,(H,18,21)
InChIKeyRIWKWTPRMXIVKX-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.05
Rot. Bonds3

About 3-cyclopropyl-6-methyl-6-phenyl-1-propan-2-ylpiperazine-2,5-dione

3-cyclopropyl-6-methyl-6-phenyl-1-propan-2-ylpiperazine-2,5-dione (PubChem CID 64886030) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is 3-cyclopropyl-6-methyl-6-phenyl-1-propan-2-ylpiperazine-2,5-dione.

Molecular Properties

Compound Name3-cyclopropyl-6-methyl-6-phenyl-1-propan-2-ylpiperazine-2,5-dione
PubChem CID64886030
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC Name3-cyclopropyl-6-methyl-6-phenyl-1-propan-2-ylpiperazine-2,5-dione
SMILESCC(C)N1C(=O)C(C2CC2)NC(=O)C1(C)c1ccccc1
InChIInChI=1S/C17H22N2O2/c1-11(2)19-15(20)14(12-9-10-12)18-16(21)17(19,3)13-7-5-4-6-8-13/h4-8,11-12,14H,9-10H2,1-3H3,(H,18,21)
InChIKeyRIWKWTPRMXIVKX-UHFFFAOYSA-N
XLogP2.05
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-6-methyl-6-phenyl-1-propan-2-ylpiperazine-2,5-dione?
The IUPAC name of 3-cyclopropyl-6-methyl-6-phenyl-1-propan-2-ylpiperazine-2,5-dione (CID 64886030) is 3-cyclopropyl-6-methyl-6-phenyl-1-propan-2-ylpiperazine-2,5-dione.
What is the SMILES notation for 3-cyclopropyl-6-methyl-6-phenyl-1-propan-2-ylpiperazine-2,5-dione?
The canonical SMILES for 3-cyclopropyl-6-methyl-6-phenyl-1-propan-2-ylpiperazine-2,5-dione is CC(C)N1C(=O)C(C2CC2)NC(=O)C1(C)c1ccccc1.
What is the InChIKey of 3-cyclopropyl-6-methyl-6-phenyl-1-propan-2-ylpiperazine-2,5-dione?
The InChIKey is RIWKWTPRMXIVKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-11(2)19-15(20)14(12-9-10-12)18-16(21)17(19,3)13-7-5-4-6-8-13/h4-8,11-12,14H,9-10H2,1-3H3,(H,18,21).
What are the key properties of 3-cyclopropyl-6-methyl-6-phenyl-1-propan-2-ylpiperazine-2,5-dione?
3-cyclopropyl-6-methyl-6-phenyl-1-propan-2-ylpiperazine-2,5-dione has a molecular weight of 286.38 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-6-methyl-6-phenyl-1-propan-2-ylpiperazine-2,5-dione is sourced from PubChem (CID 64886030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).