6-[(2R)-2-ethyl-3-oxopiperazine-1-carbonyl]-3-methyl-1H-benzimidazol-2-one

C15H18N4O3 — CID 97096717

IUPAC6-[(2R)-2-ethyl-3-oxopiperazine-1-carbonyl]-3-methyl-1H-benzimidazol-2-one
SMILESCC[C@@H]1C(=O)NCCN1C(=O)c1ccc2c(c1)[nH]c(=O)n2C
InChIInChI=1S/C15H18N4O3/c1-3-11-13(20)16-6-7-19(11)14(21)9-4-5-12-10(8-9)17-15(22)18(12)2/h4-5,8,11H,3,6-7H2,1-2H3,(H,16,20)(H,17,22)/t11-/m1/s1
InChIKeyZJZLVTBZFCRMAD-LLVKDONJSA-N
MW302.33 g/mol
LogP0.22
Rot. Bonds2

About 6-[(2R)-2-ethyl-3-oxopiperazine-1-carbonyl]-3-methyl-1H-benzimidazol-2-one

6-[(2R)-2-ethyl-3-oxopiperazine-1-carbonyl]-3-methyl-1H-benzimidazol-2-one (PubChem CID 97096717) has the molecular formula C15H18N4O3 and a molecular weight of 302.33 g/mol. Its IUPAC name is 6-[(2R)-2-ethyl-3-oxopiperazine-1-carbonyl]-3-methyl-1H-benzimidazol-2-one.

Molecular Properties

Compound Name6-[(2R)-2-ethyl-3-oxopiperazine-1-carbonyl]-3-methyl-1H-benzimidazol-2-one
PubChem CID97096717
Molecular FormulaC15H18N4O3
Molecular Weight302.33 g/mol
Exact Mass302.14
IUPAC Name6-[(2R)-2-ethyl-3-oxopiperazine-1-carbonyl]-3-methyl-1H-benzimidazol-2-one
SMILESCC[C@@H]1C(=O)NCCN1C(=O)c1ccc2c(c1)[nH]c(=O)n2C
InChIInChI=1S/C15H18N4O3/c1-3-11-13(20)16-6-7-19(11)14(21)9-4-5-12-10(8-9)17-15(22)18(12)2/h4-5,8,11H,3,6-7H2,1-2H3,(H,16,20)(H,17,22)/t11-/m1/s1
InChIKeyZJZLVTBZFCRMAD-LLVKDONJSA-N
XLogP0.22
TPSA87.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 63602039
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CID 55217695
3-ethyl-4-(quinoxaline-6-carbonyl)piperazin-2-one
CID 63602080
(3R)-3-ethyl-4-(3-iodo-4-methylbenzoyl)piperazin-2-one
CID 1382904
3-(2-ethyl-3-oxopiperazine-1-carbonyl)benzonitrile
CID 63600980
(3R)-3-ethyl-4-[3-(methoxymethyl)benzoyl]piperazin-2-one
CID 95330414
4-(1,5-dimethylindole-2-carbonyl)-3-ethylpiperazin-2-one
CID 46980097
(3S)-3-ethyl-4-[4-[2-(hydroxymethyl)-3H-benzimidazol-5-yl]benzoyl]piperazin-2-one
CID 125437778
3-ethyl-4-(2-methylbenzoyl)piperazin-2-one
CID 63601884
2-[4-(2-ethyl-3-oxopiperazine-1-carbonyl)phenoxy]acetic acid
CID 136552744
3-ethyl-4-[3-(5-fluoro-1-methylindazol-3-yl)benzoyl]piperazin-2-one
CID 122563076
4-(2,5-dimethylthiophene-3-carbonyl)-3-ethylpiperazin-2-one
CID 63601701

Frequently Asked Questions

What is the IUPAC name of 6-[(2R)-2-ethyl-3-oxopiperazine-1-carbonyl]-3-methyl-1H-benzimidazol-2-one?
The IUPAC name of 6-[(2R)-2-ethyl-3-oxopiperazine-1-carbonyl]-3-methyl-1H-benzimidazol-2-one (CID 97096717) is 6-[(2R)-2-ethyl-3-oxopiperazine-1-carbonyl]-3-methyl-1H-benzimidazol-2-one.
What is the SMILES notation for 6-[(2R)-2-ethyl-3-oxopiperazine-1-carbonyl]-3-methyl-1H-benzimidazol-2-one?
The canonical SMILES for 6-[(2R)-2-ethyl-3-oxopiperazine-1-carbonyl]-3-methyl-1H-benzimidazol-2-one is CC[C@@H]1C(=O)NCCN1C(=O)c1ccc2c(c1)[nH]c(=O)n2C.
What is the InChIKey of 6-[(2R)-2-ethyl-3-oxopiperazine-1-carbonyl]-3-methyl-1H-benzimidazol-2-one?
The InChIKey is ZJZLVTBZFCRMAD-LLVKDONJSA-N. The full InChI is InChI=1S/C15H18N4O3/c1-3-11-13(20)16-6-7-19(11)14(21)9-4-5-12-10(8-9)17-15(22)18(12)2/h4-5,8,11H,3,6-7H2,1-2H3,(H,16,20)(H,17,22)/t11-/m1/s1.
What are the key properties of 6-[(2R)-2-ethyl-3-oxopiperazine-1-carbonyl]-3-methyl-1H-benzimidazol-2-one?
6-[(2R)-2-ethyl-3-oxopiperazine-1-carbonyl]-3-methyl-1H-benzimidazol-2-one has a molecular weight of 302.33 g/mol, XLogP of 0.22, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2R)-2-ethyl-3-oxopiperazine-1-carbonyl]-3-methyl-1H-benzimidazol-2-one is sourced from PubChem (CID 97096717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).