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

C15H19ClN2O3 — CID 165422511

IUPAC(3S)-1-[(2-chlorophenyl)methyl]-4-(3-hydroxypropyl)-3-methylpiperazine-2,5-dione
SMILESC[C@H]1C(=O)N(Cc2ccccc2Cl)CC(=O)N1CCCO
InChIInChI=1S/C15H19ClN2O3/c1-11-15(21)17(9-12-5-2-3-6-13(12)16)10-14(20)18(11)7-4-8-19/h2-3,5-6,11,19H,4,7-10H2,1H3/t11-/m0/s1
InChIKeyDDOHOPIHODFPEG-NSHDSACASA-N
MW310.78 g/mol
LogP1.28
Rot. Bonds5

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

(3S)-1-[(2-chlorophenyl)methyl]-4-(3-hydroxypropyl)-3-methylpiperazine-2,5-dione (PubChem CID 165422511) has the molecular formula C15H19ClN2O3 and a molecular weight of 310.78 g/mol. Its IUPAC name is (3S)-1-[(2-chlorophenyl)methyl]-4-(3-hydroxypropyl)-3-methylpiperazine-2,5-dione.

Molecular Properties

Compound Name(3S)-1-[(2-chlorophenyl)methyl]-4-(3-hydroxypropyl)-3-methylpiperazine-2,5-dione
PubChem CID165422511
Molecular FormulaC15H19ClN2O3
Molecular Weight310.78 g/mol
Exact Mass310.11
IUPAC Name(3S)-1-[(2-chlorophenyl)methyl]-4-(3-hydroxypropyl)-3-methylpiperazine-2,5-dione
SMILESC[C@H]1C(=O)N(Cc2ccccc2Cl)CC(=O)N1CCCO
InChIInChI=1S/C15H19ClN2O3/c1-11-15(21)17(9-12-5-2-3-6-13(12)16)10-14(20)18(11)7-4-8-19/h2-3,5-6,11,19H,4,7-10H2,1H3/t11-/m0/s1
InChIKeyDDOHOPIHODFPEG-NSHDSACASA-N
XLogP1.28
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.78
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-1-[(2-chlorophenyl)methyl]-4-(5-fluoropentyl)-3-methylpiperazine-2,5-dione
CID 165421903
(3S)-1-[(2-chlorophenyl)methyl]-3-methyl-4-(3-pyrazol-1-ylpropyl)piperazine-2,5-dione
CID 165417712
(3S)-1-[(2-chlorophenyl)methyl]-4-(2-cyclohexylethyl)-3-methylpiperazine-2,5-dione
CID 165418539
(3S)-1-[(2-chlorophenyl)methyl]-3-methyl-4-(2-methylsulfonylethyl)piperazine-2,5-dione;formic acid
CID 171322747
N-tert-butyl-2-[(2S)-4-[(2-chlorophenyl)methyl]-2-methyl-3,6-dioxopiperazin-1-yl]acetamide
CID 165424710
(3S)-1-[(3-fluorophenyl)methyl]-4-(3-hydroxypropyl)-3-methylpiperazine-2,5-dione
CID 165424719
(3S)-1-[(2-chlorophenyl)methyl]-3-methyl-4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazine-2,5-dione
CID 165425308
(3S)-1-[(2-chlorophenyl)methyl]-4-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-3-methylpiperazine-2,5-dione
CID 165425954
(3S)-1-benzyl-4-(3,3-dimethylbutyl)-3-methylpiperazine-2,5-dione
CID 165420575
(3R)-3-methyl-1-(2-phenylethyl)-4-(3-phenylpropyl)piperazine-2,5-dione
CID 165419017
(3R)-1-benzyl-4-[2-(2-ethylphenoxy)ethyl]-3-methylpiperazine-2,5-dione
CID 165423642
2-[(2-chlorophenyl)methyl]-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione
CID 3775560

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[(2-chlorophenyl)methyl]-4-(3-hydroxypropyl)-3-methylpiperazine-2,5-dione?
The IUPAC name of (3S)-1-[(2-chlorophenyl)methyl]-4-(3-hydroxypropyl)-3-methylpiperazine-2,5-dione (CID 165422511) is (3S)-1-[(2-chlorophenyl)methyl]-4-(3-hydroxypropyl)-3-methylpiperazine-2,5-dione.
What is the SMILES notation for (3S)-1-[(2-chlorophenyl)methyl]-4-(3-hydroxypropyl)-3-methylpiperazine-2,5-dione?
The canonical SMILES for (3S)-1-[(2-chlorophenyl)methyl]-4-(3-hydroxypropyl)-3-methylpiperazine-2,5-dione is C[C@H]1C(=O)N(Cc2ccccc2Cl)CC(=O)N1CCCO.
What is the InChIKey of (3S)-1-[(2-chlorophenyl)methyl]-4-(3-hydroxypropyl)-3-methylpiperazine-2,5-dione?
The InChIKey is DDOHOPIHODFPEG-NSHDSACASA-N. The full InChI is InChI=1S/C15H19ClN2O3/c1-11-15(21)17(9-12-5-2-3-6-13(12)16)10-14(20)18(11)7-4-8-19/h2-3,5-6,11,19H,4,7-10H2,1H3/t11-/m0/s1.
What are the key properties of (3S)-1-[(2-chlorophenyl)methyl]-4-(3-hydroxypropyl)-3-methylpiperazine-2,5-dione?
(3S)-1-[(2-chlorophenyl)methyl]-4-(3-hydroxypropyl)-3-methylpiperazine-2,5-dione has a molecular weight of 310.78 g/mol, XLogP of 1.28, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[(2-chlorophenyl)methyl]-4-(3-hydroxypropyl)-3-methylpiperazine-2,5-dione is sourced from PubChem (CID 165422511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).