1-butyl-6-cyclopropyl-3-phenylpiperazine-2,5-dione

C17H22N2O2 — CID 64885551

IUPAC1-butyl-6-cyclopropyl-3-phenylpiperazine-2,5-dione
SMILESCCCCN1C(=O)C(c2ccccc2)NC(=O)C1C1CC1
InChIInChI=1S/C17H22N2O2/c1-2-3-11-19-15(13-9-10-13)16(20)18-14(17(19)21)12-7-5-4-6-8-12/h4-8,13-15H,2-3,9-11H2,1H3,(H,18,20)
InChIKeySMCZJAPBVNVXOK-UHFFFAOYSA-N
MW286.37 g/mol
LogP2.26
Rot. Bonds5

About 1-butyl-6-cyclopropyl-3-phenylpiperazine-2,5-dione

1-butyl-6-cyclopropyl-3-phenylpiperazine-2,5-dione (PubChem CID 64885551) has the molecular formula C17H22N2O2 and a molecular weight of 286.37 g/mol. Its IUPAC name is 1-butyl-6-cyclopropyl-3-phenylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-butyl-6-cyclopropyl-3-phenylpiperazine-2,5-dione
PubChem CID64885551
Molecular FormulaC17H22N2O2
Molecular Weight286.37 g/mol
Exact Mass286.17
IUPAC Name1-butyl-6-cyclopropyl-3-phenylpiperazine-2,5-dione
SMILESCCCCN1C(=O)C(c2ccccc2)NC(=O)C1C1CC1
InChIInChI=1S/C17H22N2O2/c1-2-3-11-19-15(13-9-10-13)16(20)18-14(17(19)21)12-7-5-4-6-8-12/h4-8,13-15H,2-3,9-11H2,1H3,(H,18,20)
InChIKeySMCZJAPBVNVXOK-UHFFFAOYSA-N
XLogP2.26
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-butyl-6-cyclopropyl-3-phenylpiperazine-2,5-dione?
The IUPAC name of 1-butyl-6-cyclopropyl-3-phenylpiperazine-2,5-dione (CID 64885551) is 1-butyl-6-cyclopropyl-3-phenylpiperazine-2,5-dione.
What is the SMILES notation for 1-butyl-6-cyclopropyl-3-phenylpiperazine-2,5-dione?
The canonical SMILES for 1-butyl-6-cyclopropyl-3-phenylpiperazine-2,5-dione is CCCCN1C(=O)C(c2ccccc2)NC(=O)C1C1CC1.
What is the InChIKey of 1-butyl-6-cyclopropyl-3-phenylpiperazine-2,5-dione?
The InChIKey is SMCZJAPBVNVXOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-2-3-11-19-15(13-9-10-13)16(20)18-14(17(19)21)12-7-5-4-6-8-12/h4-8,13-15H,2-3,9-11H2,1H3,(H,18,20).
What are the key properties of 1-butyl-6-cyclopropyl-3-phenylpiperazine-2,5-dione?
1-butyl-6-cyclopropyl-3-phenylpiperazine-2,5-dione has a molecular weight of 286.37 g/mol, XLogP of 2.26, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-6-cyclopropyl-3-phenylpiperazine-2,5-dione is sourced from PubChem (CID 64885551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).