1-(4-chloro-2-fluorophenyl)-3-cyclopropyl-3,6-dimethylpiperazine-2,5-dione

C15H16ClFN2O2 — CID 64965252

IUPAC1-(4-chloro-2-fluorophenyl)-3-cyclopropyl-3,6-dimethylpiperazine-2,5-dione
SMILESCC1C(=O)NC(C)(C2CC2)C(=O)N1c1ccc(Cl)cc1F
InChIInChI=1S/C15H16ClFN2O2/c1-8-13(20)18-15(2,9-3-4-9)14(21)19(8)12-6-5-10(16)7-11(12)17/h5-9H,3-4H2,1-2H3,(H,18,20)
InChIKeyLEZUQEOVKAYGHX-UHFFFAOYSA-N
MW310.76 g/mol
LogP2.50
Rot. Bonds2

About 1-(4-chloro-2-fluorophenyl)-3-cyclopropyl-3,6-dimethylpiperazine-2,5-dione

1-(4-chloro-2-fluorophenyl)-3-cyclopropyl-3,6-dimethylpiperazine-2,5-dione (PubChem CID 64965252) has the molecular formula C15H16ClFN2O2 and a molecular weight of 310.76 g/mol. Its IUPAC name is 1-(4-chloro-2-fluorophenyl)-3-cyclopropyl-3,6-dimethylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-(4-chloro-2-fluorophenyl)-3-cyclopropyl-3,6-dimethylpiperazine-2,5-dione
PubChem CID64965252
Molecular FormulaC15H16ClFN2O2
Molecular Weight310.76 g/mol
Exact Mass310.09
IUPAC Name1-(4-chloro-2-fluorophenyl)-3-cyclopropyl-3,6-dimethylpiperazine-2,5-dione
SMILESCC1C(=O)NC(C)(C2CC2)C(=O)N1c1ccc(Cl)cc1F
InChIInChI=1S/C15H16ClFN2O2/c1-8-13(20)18-15(2,9-3-4-9)14(21)19(8)12-6-5-10(16)7-11(12)17/h5-9H,3-4H2,1-2H3,(H,18,20)
InChIKeyLEZUQEOVKAYGHX-UHFFFAOYSA-N
XLogP2.50
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.76
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Nbd-556
CID 1570601
N-(4-Chloro-3-Fluorophenyl)-N'-(1,2,2,6,6-Pentamethylpiperidin-4-Yl)ethanediamide
CID 46200212
ethyl (3S)-3-[(4-chloro-3-fluorophenyl)carbamoyl]piperidine-1-carboxylate
CID 139267757
1-(4-Chlorophenyl)-4-[(2,2,3,3-tetramethylcyclopropyl)carbonyl]piperazine
CID 728235
methyl (3S)-3-[(4-chloro-3-fluorophenyl)carbamoyl]piperidine-1-carboxylate
CID 139267756
(3S)-N~3~-(4-chloro-3-fluorophenyl)-N~1~-propylpiperidine-1,3-dicarboxamide
CID 139267758
(3S)-N~1~-(2-aminoethyl)-N~3~-(4-chloro-3-fluorophenyl)piperidine-1,3-dicarboxamide
CID 139267761
N-(4-chlorophenyl)-2-(2-oxo-1-pyrrolidinyl)butanamide
CID 4120877
N-(2-chlorophenyl)-2-[[1-(3,5-dimethylpiperidin-1-yl)-1-oxopropan-2-yl]-methylamino]acetamide
CID 4880320
N-[(2R)-1-[4-(4-chlorophenyl)-3,3-dimethylpiperazin-1-yl]-3-methyl-1-oxobutan-2-yl]cyclopentanecarboxamide
CID 24738063
Jrc-II-191
CID 46186917
N'-(9-azaspiro[3.5]nonan-6-yl)-N-(4-chloro-3-fluoro-phenyl)oxamide
CID 46200686

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2-fluorophenyl)-3-cyclopropyl-3,6-dimethylpiperazine-2,5-dione?
The IUPAC name of 1-(4-chloro-2-fluorophenyl)-3-cyclopropyl-3,6-dimethylpiperazine-2,5-dione (CID 64965252) is 1-(4-chloro-2-fluorophenyl)-3-cyclopropyl-3,6-dimethylpiperazine-2,5-dione.
What is the SMILES notation for 1-(4-chloro-2-fluorophenyl)-3-cyclopropyl-3,6-dimethylpiperazine-2,5-dione?
The canonical SMILES for 1-(4-chloro-2-fluorophenyl)-3-cyclopropyl-3,6-dimethylpiperazine-2,5-dione is CC1C(=O)NC(C)(C2CC2)C(=O)N1c1ccc(Cl)cc1F.
What is the InChIKey of 1-(4-chloro-2-fluorophenyl)-3-cyclopropyl-3,6-dimethylpiperazine-2,5-dione?
The InChIKey is LEZUQEOVKAYGHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClFN2O2/c1-8-13(20)18-15(2,9-3-4-9)14(21)19(8)12-6-5-10(16)7-11(12)17/h5-9H,3-4H2,1-2H3,(H,18,20).
What are the key properties of 1-(4-chloro-2-fluorophenyl)-3-cyclopropyl-3,6-dimethylpiperazine-2,5-dione?
1-(4-chloro-2-fluorophenyl)-3-cyclopropyl-3,6-dimethylpiperazine-2,5-dione has a molecular weight of 310.76 g/mol, XLogP of 2.50, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2-fluorophenyl)-3-cyclopropyl-3,6-dimethylpiperazine-2,5-dione is sourced from PubChem (CID 64965252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).