1-(3-fluoropropyl)-3-methyl-3-phenylpiperazine-2,5-dione

C14H17FN2O2 — CID 81110235

IUPAC1-(3-fluoropropyl)-3-methyl-3-phenylpiperazine-2,5-dione
SMILESCC1(c2ccccc2)NC(=O)CN(CCCF)C1=O
InChIInChI=1S/C14H17FN2O2/c1-14(11-6-3-2-4-7-11)13(19)17(9-5-8-15)10-12(18)16-14/h2-4,6-7H,5,8-10H2,1H3,(H,16,18)
InChIKeyVEZJVDBIAXBPFG-UHFFFAOYSA-N
MW264.30 g/mol
LogP1.22
Rot. Bonds4

About 1-(3-fluoropropyl)-3-methyl-3-phenylpiperazine-2,5-dione

1-(3-fluoropropyl)-3-methyl-3-phenylpiperazine-2,5-dione (PubChem CID 81110235) has the molecular formula C14H17FN2O2 and a molecular weight of 264.30 g/mol. Its IUPAC name is 1-(3-fluoropropyl)-3-methyl-3-phenylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-(3-fluoropropyl)-3-methyl-3-phenylpiperazine-2,5-dione
PubChem CID81110235
Molecular FormulaC14H17FN2O2
Molecular Weight264.30 g/mol
Exact Mass264.13
IUPAC Name1-(3-fluoropropyl)-3-methyl-3-phenylpiperazine-2,5-dione
SMILESCC1(c2ccccc2)NC(=O)CN(CCCF)C1=O
InChIInChI=1S/C14H17FN2O2/c1-14(11-6-3-2-4-7-11)13(19)17(9-5-8-15)10-12(18)16-14/h2-4,6-7H,5,8-10H2,1H3,(H,16,18)
InChIKeyVEZJVDBIAXBPFG-UHFFFAOYSA-N
XLogP1.22
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.30
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-1-pentyl-3-phenylpiperazine-2,5-dione
CID 64881358
3-methyl-3-phenyl-1-(thiophen-2-ylmethyl)piperazine-2,5-dione
CID 64881353
3-methyl-3-phenyl-1-(1,3-thiazol-2-ylmethyl)piperazine-2,5-dione
CID 64965769
1-(3-methoxypropyl)-3-methyl-3-phenyl-1,4-diazepane-2,5-dione
CID 64881892
3-methyl-1-pent-4-ynyl-3-phenyl-1,4-diazepane-2,5-dione
CID 106222106
3-methyl-1-(oxolan-2-ylmethyl)-3-phenylpiperazine-2,5-dione
CID 64881514
3-methyl-1-(3-methylbutyl)-3-phenyl-1,4-diazepane-2,5-dione
CID 64884629
1-(1-cyclopropylpropan-2-yl)-3-methyl-3-phenylpiperazine-2,5-dione
CID 64971848
1-(2-ethoxyethyl)-3-methyl-3-phenyl-1,4-diazepane-2,5-dione
CID 64882280
3,3-dimethyl-1-(2-phenoxyethyl)piperazine-2,5-dione
CID 64878650
1-heptyl-3,3-dimethylpiperazine-2,5-dione
CID 64879590
(5S)-5-methyl-5-phenylpyrrolidine-2,4-dione
CID 91421764

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoropropyl)-3-methyl-3-phenylpiperazine-2,5-dione?
The IUPAC name of 1-(3-fluoropropyl)-3-methyl-3-phenylpiperazine-2,5-dione (CID 81110235) is 1-(3-fluoropropyl)-3-methyl-3-phenylpiperazine-2,5-dione.
What is the SMILES notation for 1-(3-fluoropropyl)-3-methyl-3-phenylpiperazine-2,5-dione?
The canonical SMILES for 1-(3-fluoropropyl)-3-methyl-3-phenylpiperazine-2,5-dione is CC1(c2ccccc2)NC(=O)CN(CCCF)C1=O.
What is the InChIKey of 1-(3-fluoropropyl)-3-methyl-3-phenylpiperazine-2,5-dione?
The InChIKey is VEZJVDBIAXBPFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O2/c1-14(11-6-3-2-4-7-11)13(19)17(9-5-8-15)10-12(18)16-14/h2-4,6-7H,5,8-10H2,1H3,(H,16,18).
What are the key properties of 1-(3-fluoropropyl)-3-methyl-3-phenylpiperazine-2,5-dione?
1-(3-fluoropropyl)-3-methyl-3-phenylpiperazine-2,5-dione has a molecular weight of 264.30 g/mol, XLogP of 1.22, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoropropyl)-3-methyl-3-phenylpiperazine-2,5-dione is sourced from PubChem (CID 81110235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).