(3R)-3-ethyl-4-(3-iodo-4-methylbenzoyl)piperazin-2-one

C14H17IN2O2 — CID 1382904

IUPAC(3R)-3-ethyl-4-(3-iodo-4-methylbenzoyl)piperazin-2-one
SMILESCC[C@@H]1C(=O)NCCN1C(=O)c1ccc(C)c(I)c1
InChIInChI=1S/C14H17IN2O2/c1-3-12-13(18)16-6-7-17(12)14(19)10-5-4-9(2)11(15)8-10/h4-5,8,12H,3,6-7H2,1-2H3,(H,16,18)/t12-/m1/s1
InChIKeyWKRAFSZVSCJPFV-GFCCVEGCSA-N
MW372.21 g/mol
LogP1.95
Rot. Bonds2

About (3R)-3-ethyl-4-(3-iodo-4-methylbenzoyl)piperazin-2-one

(3R)-3-ethyl-4-(3-iodo-4-methylbenzoyl)piperazin-2-one (PubChem CID 1382904) has the molecular formula C14H17IN2O2 and a molecular weight of 372.21 g/mol. Its IUPAC name is (3R)-3-ethyl-4-(3-iodo-4-methylbenzoyl)piperazin-2-one.

Molecular Properties

Compound Name(3R)-3-ethyl-4-(3-iodo-4-methylbenzoyl)piperazin-2-one
PubChem CID1382904
Molecular FormulaC14H17IN2O2
Molecular Weight372.21 g/mol
Exact Mass372.03
IUPAC Name(3R)-3-ethyl-4-(3-iodo-4-methylbenzoyl)piperazin-2-one
SMILESCC[C@@H]1C(=O)NCCN1C(=O)c1ccc(C)c(I)c1
InChIInChI=1S/C14H17IN2O2/c1-3-12-13(18)16-6-7-17(12)14(19)10-5-4-9(2)11(15)8-10/h4-5,8,12H,3,6-7H2,1-2H3,(H,16,18)/t12-/m1/s1
InChIKeyWKRAFSZVSCJPFV-GFCCVEGCSA-N
XLogP1.95
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.21
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

decyl 2-[1-(3-iodo-4-methylbenzoyl)-3-oxopiperazin-2-yl]acetate
CID 17093894
3-ethyl-4-(quinoxaline-6-carbonyl)piperazin-2-one
CID 63602080
3-ethyl-4-(1-methyl-2-oxopyridine-4-carbonyl)piperazin-2-one
CID 55217695
3-(2-ethyl-3-oxopiperazine-1-carbonyl)benzonitrile
CID 63600980
3-ethyl-4-(2-methylbenzoyl)piperazin-2-one
CID 63601884
4-(3H-benzimidazole-5-carbonyl)-3-ethylpiperazin-2-one
CID 63602039
6-[(2R)-2-ethyl-3-oxopiperazine-1-carbonyl]-3-methyl-1H-benzimidazol-2-one
CID 97096717
3-ethyl-4-(2-hydroxy-3,5-diiodobenzoyl)piperazin-2-one
CID 63601340
4-(2-amino-6-methylbenzoyl)-3-ethylpiperazin-2-one
CID 63601793
3-ethyl-4-(2-methyl-5-nitrobenzoyl)piperazin-2-one
CID 63602604
(3R)-3-ethyl-4-[3-(methoxymethyl)benzoyl]piperazin-2-one
CID 95330414
2-[4-(2-ethyl-3-oxopiperazine-1-carbonyl)phenoxy]acetic acid
CID 136552744

Frequently Asked Questions

What is the IUPAC name of (3R)-3-ethyl-4-(3-iodo-4-methylbenzoyl)piperazin-2-one?
The IUPAC name of (3R)-3-ethyl-4-(3-iodo-4-methylbenzoyl)piperazin-2-one (CID 1382904) is (3R)-3-ethyl-4-(3-iodo-4-methylbenzoyl)piperazin-2-one.
What is the SMILES notation for (3R)-3-ethyl-4-(3-iodo-4-methylbenzoyl)piperazin-2-one?
The canonical SMILES for (3R)-3-ethyl-4-(3-iodo-4-methylbenzoyl)piperazin-2-one is CC[C@@H]1C(=O)NCCN1C(=O)c1ccc(C)c(I)c1.
What is the InChIKey of (3R)-3-ethyl-4-(3-iodo-4-methylbenzoyl)piperazin-2-one?
The InChIKey is WKRAFSZVSCJPFV-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H17IN2O2/c1-3-12-13(18)16-6-7-17(12)14(19)10-5-4-9(2)11(15)8-10/h4-5,8,12H,3,6-7H2,1-2H3,(H,16,18)/t12-/m1/s1.
What are the key properties of (3R)-3-ethyl-4-(3-iodo-4-methylbenzoyl)piperazin-2-one?
(3R)-3-ethyl-4-(3-iodo-4-methylbenzoyl)piperazin-2-one has a molecular weight of 372.21 g/mol, XLogP of 1.95, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-ethyl-4-(3-iodo-4-methylbenzoyl)piperazin-2-one is sourced from PubChem (CID 1382904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).