N-tert-butyl-2-[(2S)-4-[(2-chlorophenyl)methyl]-2-methyl-3,6-dioxopiperazin-1-yl]acetamide

C18H24ClN3O3 — CID 165424710

IUPACN-tert-butyl-2-[(2S)-4-[(2-chlorophenyl)methyl]-2-methyl-3,6-dioxopiperazin-1-yl]acetamide
SMILESC[C@H]1C(=O)N(Cc2ccccc2Cl)CC(=O)N1CC(=O)NC(C)(C)C
InChIInChI=1S/C18H24ClN3O3/c1-12-17(25)21(9-13-7-5-6-8-14(13)19)11-16(24)22(12)10-15(23)20-18(2,3)4/h5-8,12H,9-11H2,1-4H3,(H,20,23)/t12-/m0/s1
InChIKeyYJIJBRFPWNEKDE-LBPRGKRZSA-N
MW365.86 g/mol
LogP1.81
Rot. Bonds4

About N-tert-butyl-2-[(2S)-4-[(2-chlorophenyl)methyl]-2-methyl-3,6-dioxopiperazin-1-yl]acetamide

N-tert-butyl-2-[(2S)-4-[(2-chlorophenyl)methyl]-2-methyl-3,6-dioxopiperazin-1-yl]acetamide (PubChem CID 165424710) has the molecular formula C18H24ClN3O3 and a molecular weight of 365.86 g/mol. Its IUPAC name is N-tert-butyl-2-[(2S)-4-[(2-chlorophenyl)methyl]-2-methyl-3,6-dioxopiperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[(2S)-4-[(2-chlorophenyl)methyl]-2-methyl-3,6-dioxopiperazin-1-yl]acetamide
PubChem CID165424710
Molecular FormulaC18H24ClN3O3
Molecular Weight365.86 g/mol
Exact Mass365.15
IUPAC NameN-tert-butyl-2-[(2S)-4-[(2-chlorophenyl)methyl]-2-methyl-3,6-dioxopiperazin-1-yl]acetamide
SMILESC[C@H]1C(=O)N(Cc2ccccc2Cl)CC(=O)N1CC(=O)NC(C)(C)C
InChIInChI=1S/C18H24ClN3O3/c1-12-17(25)21(9-13-7-5-6-8-14(13)19)11-16(24)22(12)10-15(23)20-18(2,3)4/h5-8,12H,9-11H2,1-4H3,(H,20,23)/t12-/m0/s1
InChIKeyYJIJBRFPWNEKDE-LBPRGKRZSA-N
XLogP1.81
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.86
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-1-[(2-chlorophenyl)methyl]-4-(3-hydroxypropyl)-3-methylpiperazine-2,5-dione
CID 165422511
(3S)-1-[(2-chlorophenyl)methyl]-4-(5-fluoropentyl)-3-methylpiperazine-2,5-dione
CID 165421903
(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
(3S)-1-[(2-chlorophenyl)methyl]-3-methyl-4-(3-pyrazol-1-ylpropyl)piperazine-2,5-dione
CID 165417712
(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
2-[(2-chlorophenyl)methyl]-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione
CID 3775560
N-[(2-chlorophenyl)methyl]-2-[3-(2-fluorophenyl)-4-[(4-methylphenyl)methyl]-2,5-dioxopiperazin-1-yl]acetamide
CID 126479616
N-tert-butyl-2-(3-methyl-1,4-dioxo-3H-pyrazino[1,2-a]indol-2-yl)acetamide
CID 71507194
(3S)-1-benzyl-4-(2-cyclohexylethyl)-3-methylpiperazine-2,5-dione
CID 165426700

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[(2S)-4-[(2-chlorophenyl)methyl]-2-methyl-3,6-dioxopiperazin-1-yl]acetamide?
The IUPAC name of N-tert-butyl-2-[(2S)-4-[(2-chlorophenyl)methyl]-2-methyl-3,6-dioxopiperazin-1-yl]acetamide (CID 165424710) is N-tert-butyl-2-[(2S)-4-[(2-chlorophenyl)methyl]-2-methyl-3,6-dioxopiperazin-1-yl]acetamide.
What is the SMILES notation for N-tert-butyl-2-[(2S)-4-[(2-chlorophenyl)methyl]-2-methyl-3,6-dioxopiperazin-1-yl]acetamide?
The canonical SMILES for N-tert-butyl-2-[(2S)-4-[(2-chlorophenyl)methyl]-2-methyl-3,6-dioxopiperazin-1-yl]acetamide is C[C@H]1C(=O)N(Cc2ccccc2Cl)CC(=O)N1CC(=O)NC(C)(C)C.
What is the InChIKey of N-tert-butyl-2-[(2S)-4-[(2-chlorophenyl)methyl]-2-methyl-3,6-dioxopiperazin-1-yl]acetamide?
The InChIKey is YJIJBRFPWNEKDE-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H24ClN3O3/c1-12-17(25)21(9-13-7-5-6-8-14(13)19)11-16(24)22(12)10-15(23)20-18(2,3)4/h5-8,12H,9-11H2,1-4H3,(H,20,23)/t12-/m0/s1.
What are the key properties of N-tert-butyl-2-[(2S)-4-[(2-chlorophenyl)methyl]-2-methyl-3,6-dioxopiperazin-1-yl]acetamide?
N-tert-butyl-2-[(2S)-4-[(2-chlorophenyl)methyl]-2-methyl-3,6-dioxopiperazin-1-yl]acetamide has a molecular weight of 365.86 g/mol, XLogP of 1.81, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[(2S)-4-[(2-chlorophenyl)methyl]-2-methyl-3,6-dioxopiperazin-1-yl]acetamide is sourced from PubChem (CID 165424710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).