1-cyclopentyl-3-methyl-6-phenylpiperazine-2,5-dione

C16H20N2O2 — CID 64958331

IUPAC1-cyclopentyl-3-methyl-6-phenylpiperazine-2,5-dione
SMILESCC1NC(=O)C(c2ccccc2)N(C2CCCC2)C1=O
InChIInChI=1S/C16H20N2O2/c1-11-16(20)18(13-9-5-6-10-13)14(15(19)17-11)12-7-3-2-4-8-12/h2-4,7-8,11,13-14H,5-6,9-10H2,1H3,(H,17,19)
InChIKeyLYHKLTNHDJXSEC-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.02
Rot. Bonds2

About 1-cyclopentyl-3-methyl-6-phenylpiperazine-2,5-dione

1-cyclopentyl-3-methyl-6-phenylpiperazine-2,5-dione (PubChem CID 64958331) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 1-cyclopentyl-3-methyl-6-phenylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-cyclopentyl-3-methyl-6-phenylpiperazine-2,5-dione
PubChem CID64958331
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name1-cyclopentyl-3-methyl-6-phenylpiperazine-2,5-dione
SMILESCC1NC(=O)C(c2ccccc2)N(C2CCCC2)C1=O
InChIInChI=1S/C16H20N2O2/c1-11-16(20)18(13-9-5-6-10-13)14(15(19)17-11)12-7-3-2-4-8-12/h2-4,7-8,11,13-14H,5-6,9-10H2,1H3,(H,17,19)
InChIKeyLYHKLTNHDJXSEC-UHFFFAOYSA-N
XLogP2.02
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-methyl-6-phenylpiperazine-2,5-dione?
The IUPAC name of 1-cyclopentyl-3-methyl-6-phenylpiperazine-2,5-dione (CID 64958331) is 1-cyclopentyl-3-methyl-6-phenylpiperazine-2,5-dione.
What is the SMILES notation for 1-cyclopentyl-3-methyl-6-phenylpiperazine-2,5-dione?
The canonical SMILES for 1-cyclopentyl-3-methyl-6-phenylpiperazine-2,5-dione is CC1NC(=O)C(c2ccccc2)N(C2CCCC2)C1=O.
What is the InChIKey of 1-cyclopentyl-3-methyl-6-phenylpiperazine-2,5-dione?
The InChIKey is LYHKLTNHDJXSEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-11-16(20)18(13-9-5-6-10-13)14(15(19)17-11)12-7-3-2-4-8-12/h2-4,7-8,11,13-14H,5-6,9-10H2,1H3,(H,17,19).
What are the key properties of 1-cyclopentyl-3-methyl-6-phenylpiperazine-2,5-dione?
1-cyclopentyl-3-methyl-6-phenylpiperazine-2,5-dione has a molecular weight of 272.35 g/mol, XLogP of 2.02, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-methyl-6-phenylpiperazine-2,5-dione is sourced from PubChem (CID 64958331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).