6,6-dimethyl-1-pentyl-3-phenylpiperazine-2,5-dione

C17H24N2O2 — CID 64887461

IUPAC6,6-dimethyl-1-pentyl-3-phenylpiperazine-2,5-dione
SMILESCCCCCN1C(=O)C(c2ccccc2)NC(=O)C1(C)C
InChIInChI=1S/C17H24N2O2/c1-4-5-9-12-19-15(20)14(13-10-7-6-8-11-13)18-16(21)17(19,2)3/h6-8,10-11,14H,4-5,9,12H2,1-3H3,(H,18,21)
InChIKeyYPBMMDKRRXWXGP-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.65
Rot. Bonds5

About 6,6-dimethyl-1-pentyl-3-phenylpiperazine-2,5-dione

6,6-dimethyl-1-pentyl-3-phenylpiperazine-2,5-dione (PubChem CID 64887461) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 6,6-dimethyl-1-pentyl-3-phenylpiperazine-2,5-dione.

Molecular Properties

Compound Name6,6-dimethyl-1-pentyl-3-phenylpiperazine-2,5-dione
PubChem CID64887461
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name6,6-dimethyl-1-pentyl-3-phenylpiperazine-2,5-dione
SMILESCCCCCN1C(=O)C(c2ccccc2)NC(=O)C1(C)C
InChIInChI=1S/C17H24N2O2/c1-4-5-9-12-19-15(20)14(13-10-7-6-8-11-13)18-16(21)17(19,2)3/h6-8,10-11,14H,4-5,9,12H2,1-3H3,(H,18,21)
InChIKeyYPBMMDKRRXWXGP-UHFFFAOYSA-N
XLogP2.65
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6,6-dimethyl-1-pentyl-3-phenylpiperazine-2,5-dione?
The IUPAC name of 6,6-dimethyl-1-pentyl-3-phenylpiperazine-2,5-dione (CID 64887461) is 6,6-dimethyl-1-pentyl-3-phenylpiperazine-2,5-dione.
What is the SMILES notation for 6,6-dimethyl-1-pentyl-3-phenylpiperazine-2,5-dione?
The canonical SMILES for 6,6-dimethyl-1-pentyl-3-phenylpiperazine-2,5-dione is CCCCCN1C(=O)C(c2ccccc2)NC(=O)C1(C)C.
What is the InChIKey of 6,6-dimethyl-1-pentyl-3-phenylpiperazine-2,5-dione?
The InChIKey is YPBMMDKRRXWXGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-4-5-9-12-19-15(20)14(13-10-7-6-8-11-13)18-16(21)17(19,2)3/h6-8,10-11,14H,4-5,9,12H2,1-3H3,(H,18,21).
What are the key properties of 6,6-dimethyl-1-pentyl-3-phenylpiperazine-2,5-dione?
6,6-dimethyl-1-pentyl-3-phenylpiperazine-2,5-dione has a molecular weight of 288.39 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dimethyl-1-pentyl-3-phenylpiperazine-2,5-dione is sourced from PubChem (CID 64887461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).