(3S)-4-[(3-chlorophenyl)methyl]-3-methyl-1-[3-(2-oxopyrrolidin-1-yl)propyl]piperazine-2,5-dione

C19H24ClN3O3 — CID 164698761

IUPAC(3S)-4-[(3-chlorophenyl)methyl]-3-methyl-1-[3-(2-oxopyrrolidin-1-yl)propyl]piperazine-2,5-dione
SMILESC[C@H]1C(=O)N(CCCN2CCCC2=O)CC(=O)N1Cc1cccc(Cl)c1
InChIInChI=1S/C19H24ClN3O3/c1-14-19(26)22(10-4-9-21-8-3-7-17(21)24)13-18(25)23(14)12-15-5-2-6-16(20)11-15/h2,5-6,11,14H,3-4,7-10,12-13H2,1H3/t14-/m0/s1
InChIKeyIWOJTEJUQRRNHI-AWEZNQCLSA-N
MW377.87 g/mol
LogP1.91
Rot. Bonds6

About (3S)-4-[(3-chlorophenyl)methyl]-3-methyl-1-[3-(2-oxopyrrolidin-1-yl)propyl]piperazine-2,5-dione

(3S)-4-[(3-chlorophenyl)methyl]-3-methyl-1-[3-(2-oxopyrrolidin-1-yl)propyl]piperazine-2,5-dione (PubChem CID 164698761) has the molecular formula C19H24ClN3O3 and a molecular weight of 377.87 g/mol. Its IUPAC name is (3S)-4-[(3-chlorophenyl)methyl]-3-methyl-1-[3-(2-oxopyrrolidin-1-yl)propyl]piperazine-2,5-dione.

Molecular Properties

Compound Name(3S)-4-[(3-chlorophenyl)methyl]-3-methyl-1-[3-(2-oxopyrrolidin-1-yl)propyl]piperazine-2,5-dione
PubChem CID164698761
Molecular FormulaC19H24ClN3O3
Molecular Weight377.87 g/mol
Exact Mass377.15
IUPAC Name(3S)-4-[(3-chlorophenyl)methyl]-3-methyl-1-[3-(2-oxopyrrolidin-1-yl)propyl]piperazine-2,5-dione
SMILESC[C@H]1C(=O)N(CCCN2CCCC2=O)CC(=O)N1Cc1cccc(Cl)c1
InChIInChI=1S/C19H24ClN3O3/c1-14-19(26)22(10-4-9-21-8-3-7-17(21)24)13-18(25)23(14)12-15-5-2-6-16(20)11-15/h2,5-6,11,14H,3-4,7-10,12-13H2,1H3/t14-/m0/s1
InChIKeyIWOJTEJUQRRNHI-AWEZNQCLSA-N
XLogP1.91
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.87
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (3S)-4-[(3-chlorophenyl)methyl]-3-methyl-1-[3-(2-oxopyrrolidin-1-yl)propyl]piperazine-2,5-dione with MolForge

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Related Compounds

(3S)-3-methyl-4-[(3-methylphenyl)methyl]-1-[3-(2-oxopyrrolidin-1-yl)propyl]piperazine-2,5-dione
CID 165423646
(3S)-3-methyl-1-[3-(2-oxopyrrolidin-1-yl)propyl]-4-(pyridin-2-ylmethyl)piperazine-2,5-dione
CID 165424938
(3S)-4-[(5-fluoro-2-methylphenyl)methyl]-3-methyl-1-[3-(2-oxopyrrolidin-1-yl)propyl]piperazine-2,5-dione
CID 165425264
(3S)-3-methyl-1-[3-(2-oxopyrrolidin-1-yl)propyl]-4-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]piperazine-2,5-dione
CID 165418936
(3S,8aR)-2-[(3-chlorophenyl)methyl]-3-methyl-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione
CID 165418821
(3S)-4-[(3-chloro-5-fluorophenyl)methyl]-3-methyl-1-propylpiperazine-2,5-dione
CID 165426838
(3R)-1-benzyl-4-[(5-chloro-2-fluorophenyl)methyl]-3-methylpiperazine-2,5-dione
CID 165424500
(3R)-1-benzyl-3-methyl-4-[(1-methylpyrazol-4-yl)methyl]piperazine-2,5-dione
CID 165421787
(3S)-1-benzyl-4-(2-cyclohexylethyl)-3-methylpiperazine-2,5-dione
CID 165426700
(3S)-4-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-3-methyl-1-[3-(2-oxopyrrolidin-1-yl)propyl]piperazine-2,5-dione
CID 165426313
(3S)-4-[(3,4-dimethylphenyl)methyl]-3-methyl-1-propylpiperazine-2,5-dione
CID 165420754
1-[(3-chlorophenyl)methyl]piperidine-2,6-dione
CID 82129732

Frequently Asked Questions

What is the IUPAC name of (3S)-4-[(3-chlorophenyl)methyl]-3-methyl-1-[3-(2-oxopyrrolidin-1-yl)propyl]piperazine-2,5-dione?
The IUPAC name of (3S)-4-[(3-chlorophenyl)methyl]-3-methyl-1-[3-(2-oxopyrrolidin-1-yl)propyl]piperazine-2,5-dione (CID 164698761) is (3S)-4-[(3-chlorophenyl)methyl]-3-methyl-1-[3-(2-oxopyrrolidin-1-yl)propyl]piperazine-2,5-dione.
What is the SMILES notation for (3S)-4-[(3-chlorophenyl)methyl]-3-methyl-1-[3-(2-oxopyrrolidin-1-yl)propyl]piperazine-2,5-dione?
The canonical SMILES for (3S)-4-[(3-chlorophenyl)methyl]-3-methyl-1-[3-(2-oxopyrrolidin-1-yl)propyl]piperazine-2,5-dione is C[C@H]1C(=O)N(CCCN2CCCC2=O)CC(=O)N1Cc1cccc(Cl)c1.
What is the InChIKey of (3S)-4-[(3-chlorophenyl)methyl]-3-methyl-1-[3-(2-oxopyrrolidin-1-yl)propyl]piperazine-2,5-dione?
The InChIKey is IWOJTEJUQRRNHI-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H24ClN3O3/c1-14-19(26)22(10-4-9-21-8-3-7-17(21)24)13-18(25)23(14)12-15-5-2-6-16(20)11-15/h2,5-6,11,14H,3-4,7-10,12-13H2,1H3/t14-/m0/s1.
What are the key properties of (3S)-4-[(3-chlorophenyl)methyl]-3-methyl-1-[3-(2-oxopyrrolidin-1-yl)propyl]piperazine-2,5-dione?
(3S)-4-[(3-chlorophenyl)methyl]-3-methyl-1-[3-(2-oxopyrrolidin-1-yl)propyl]piperazine-2,5-dione has a molecular weight of 377.87 g/mol, XLogP of 1.91, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-4-[(3-chlorophenyl)methyl]-3-methyl-1-[3-(2-oxopyrrolidin-1-yl)propyl]piperazine-2,5-dione is sourced from PubChem (CID 164698761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).