1-(3-fluoropropyl)-3-phenyl-6-propan-2-ylpiperazine-2,5-dione

C16H21FN2O2 — CID 81113457

IUPAC1-(3-fluoropropyl)-3-phenyl-6-propan-2-ylpiperazine-2,5-dione
SMILESCC(C)C1C(=O)NC(c2ccccc2)C(=O)N1CCCF
InChIInChI=1S/C16H21FN2O2/c1-11(2)14-15(20)18-13(12-7-4-3-5-8-12)16(21)19(14)10-6-9-17/h3-5,7-8,11,13-14H,6,9-10H2,1-2H3,(H,18,20)
InChIKeyXTYXEUDVSLPCAV-UHFFFAOYSA-N
MW292.35 g/mol
LogP2.07
Rot. Bonds5

About 1-(3-fluoropropyl)-3-phenyl-6-propan-2-ylpiperazine-2,5-dione

1-(3-fluoropropyl)-3-phenyl-6-propan-2-ylpiperazine-2,5-dione (PubChem CID 81113457) has the molecular formula C16H21FN2O2 and a molecular weight of 292.35 g/mol. Its IUPAC name is 1-(3-fluoropropyl)-3-phenyl-6-propan-2-ylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-(3-fluoropropyl)-3-phenyl-6-propan-2-ylpiperazine-2,5-dione
PubChem CID81113457
Molecular FormulaC16H21FN2O2
Molecular Weight292.35 g/mol
Exact Mass292.16
IUPAC Name1-(3-fluoropropyl)-3-phenyl-6-propan-2-ylpiperazine-2,5-dione
SMILESCC(C)C1C(=O)NC(c2ccccc2)C(=O)N1CCCF
InChIInChI=1S/C16H21FN2O2/c1-11(2)14-15(20)18-13(12-7-4-3-5-8-12)16(21)19(14)10-6-9-17/h3-5,7-8,11,13-14H,6,9-10H2,1-2H3,(H,18,20)
InChIKeyXTYXEUDVSLPCAV-UHFFFAOYSA-N
XLogP2.07
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.35
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoropropyl)-3-phenyl-6-propan-2-ylpiperazine-2,5-dione?
The IUPAC name of 1-(3-fluoropropyl)-3-phenyl-6-propan-2-ylpiperazine-2,5-dione (CID 81113457) is 1-(3-fluoropropyl)-3-phenyl-6-propan-2-ylpiperazine-2,5-dione.
What is the SMILES notation for 1-(3-fluoropropyl)-3-phenyl-6-propan-2-ylpiperazine-2,5-dione?
The canonical SMILES for 1-(3-fluoropropyl)-3-phenyl-6-propan-2-ylpiperazine-2,5-dione is CC(C)C1C(=O)NC(c2ccccc2)C(=O)N1CCCF.
What is the InChIKey of 1-(3-fluoropropyl)-3-phenyl-6-propan-2-ylpiperazine-2,5-dione?
The InChIKey is XTYXEUDVSLPCAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN2O2/c1-11(2)14-15(20)18-13(12-7-4-3-5-8-12)16(21)19(14)10-6-9-17/h3-5,7-8,11,13-14H,6,9-10H2,1-2H3,(H,18,20).
What are the key properties of 1-(3-fluoropropyl)-3-phenyl-6-propan-2-ylpiperazine-2,5-dione?
1-(3-fluoropropyl)-3-phenyl-6-propan-2-ylpiperazine-2,5-dione has a molecular weight of 292.35 g/mol, XLogP of 2.07, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoropropyl)-3-phenyl-6-propan-2-ylpiperazine-2,5-dione is sourced from PubChem (CID 81113457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).