(3S)-1-[(3-fluorophenyl)methyl]-4-(3-hydroxypropyl)-3-methylpiperazine-2,5-dione

C15H19FN2O3 — CID 165424719

IUPAC(3S)-1-[(3-fluorophenyl)methyl]-4-(3-hydroxypropyl)-3-methylpiperazine-2,5-dione
SMILESC[C@H]1C(=O)N(Cc2cccc(F)c2)CC(=O)N1CCCO
InChIInChI=1S/C15H19FN2O3/c1-11-15(21)17(9-12-4-2-5-13(16)8-12)10-14(20)18(11)6-3-7-19/h2,4-5,8,11,19H,3,6-7,9-10H2,1H3/t11-/m0/s1
InChIKeyLFURCRKVNIEBKS-NSHDSACASA-N
MW294.33 g/mol
LogP0.77
Rot. Bonds5

About (3S)-1-[(3-fluorophenyl)methyl]-4-(3-hydroxypropyl)-3-methylpiperazine-2,5-dione

(3S)-1-[(3-fluorophenyl)methyl]-4-(3-hydroxypropyl)-3-methylpiperazine-2,5-dione (PubChem CID 165424719) has the molecular formula C15H19FN2O3 and a molecular weight of 294.33 g/mol. Its IUPAC name is (3S)-1-[(3-fluorophenyl)methyl]-4-(3-hydroxypropyl)-3-methylpiperazine-2,5-dione.

Molecular Properties

Compound Name(3S)-1-[(3-fluorophenyl)methyl]-4-(3-hydroxypropyl)-3-methylpiperazine-2,5-dione
PubChem CID165424719
Molecular FormulaC15H19FN2O3
Molecular Weight294.33 g/mol
Exact Mass294.14
IUPAC Name(3S)-1-[(3-fluorophenyl)methyl]-4-(3-hydroxypropyl)-3-methylpiperazine-2,5-dione
SMILESC[C@H]1C(=O)N(Cc2cccc(F)c2)CC(=O)N1CCCO
InChIInChI=1S/C15H19FN2O3/c1-11-15(21)17(9-12-4-2-5-13(16)8-12)10-14(20)18(11)6-3-7-19/h2,4-5,8,11,19H,3,6-7,9-10H2,1H3/t11-/m0/s1
InChIKeyLFURCRKVNIEBKS-NSHDSACASA-N
XLogP0.77
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.33
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-1-benzyl-4-[(3-fluorophenyl)methyl]-3-methylpiperazine-2,5-dione
CID 165423232
(3S)-1-[(2-chlorophenyl)methyl]-4-(3-hydroxypropyl)-3-methylpiperazine-2,5-dione
CID 165422511
1-[(3-fluorophenyl)methyl]aziridin-2-one
CID 88919956
(3S)-4-[(1-benzylimidazol-2-yl)methyl]-1-[(3-fluorophenyl)methyl]-3-methylpiperazine-2,5-dione
CID 165424252
(3S)-1-[(3-fluorophenyl)methyl]-4-(imidazo[1,2-a]pyridin-2-ylmethyl)-3-methylpiperazine-2,5-dione
CID 165428167
(3R)-1-benzyl-4-[(5-chloro-2-fluorophenyl)methyl]-3-methylpiperazine-2,5-dione
CID 165424500
(3S)-1-benzyl-4-(3,3-dimethylbutyl)-3-methylpiperazine-2,5-dione
CID 165420575
(3S)-1-benzyl-4-[[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-methylpiperazine-2,5-dione
CID 165420938
(3R)-3-methyl-1-(2-phenylethyl)-4-(3-phenylpropyl)piperazine-2,5-dione
CID 165419017
(3R)-4-(4-fluorobutyl)-3-methyl-1-(2-phenylethyl)piperazine-2,5-dione
CID 165425719
(3S)-1-benzyl-4-(2-cyclohexylethyl)-3-methylpiperazine-2,5-dione
CID 165426700
(3S)-4-[(2-fluoro-3-methylphenyl)methyl]-3-methyl-1-(2-phenylethyl)piperazine-2,5-dione
CID 165423143

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[(3-fluorophenyl)methyl]-4-(3-hydroxypropyl)-3-methylpiperazine-2,5-dione?
The IUPAC name of (3S)-1-[(3-fluorophenyl)methyl]-4-(3-hydroxypropyl)-3-methylpiperazine-2,5-dione (CID 165424719) is (3S)-1-[(3-fluorophenyl)methyl]-4-(3-hydroxypropyl)-3-methylpiperazine-2,5-dione.
What is the SMILES notation for (3S)-1-[(3-fluorophenyl)methyl]-4-(3-hydroxypropyl)-3-methylpiperazine-2,5-dione?
The canonical SMILES for (3S)-1-[(3-fluorophenyl)methyl]-4-(3-hydroxypropyl)-3-methylpiperazine-2,5-dione is C[C@H]1C(=O)N(Cc2cccc(F)c2)CC(=O)N1CCCO.
What is the InChIKey of (3S)-1-[(3-fluorophenyl)methyl]-4-(3-hydroxypropyl)-3-methylpiperazine-2,5-dione?
The InChIKey is LFURCRKVNIEBKS-NSHDSACASA-N. The full InChI is InChI=1S/C15H19FN2O3/c1-11-15(21)17(9-12-4-2-5-13(16)8-12)10-14(20)18(11)6-3-7-19/h2,4-5,8,11,19H,3,6-7,9-10H2,1H3/t11-/m0/s1.
What are the key properties of (3S)-1-[(3-fluorophenyl)methyl]-4-(3-hydroxypropyl)-3-methylpiperazine-2,5-dione?
(3S)-1-[(3-fluorophenyl)methyl]-4-(3-hydroxypropyl)-3-methylpiperazine-2,5-dione has a molecular weight of 294.33 g/mol, XLogP of 0.77, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[(3-fluorophenyl)methyl]-4-(3-hydroxypropyl)-3-methylpiperazine-2,5-dione is sourced from PubChem (CID 165424719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).