[1-(2-ethyl-3-oxopiperazin-1-yl)-4-methyl-1-oxopentan-2-yl]urea

C13H24N4O3 — CID 63601168

IUPAC[1-(2-ethyl-3-oxopiperazin-1-yl)-4-methyl-1-oxopentan-2-yl]urea
SMILESCCC1C(=O)NCCN1C(=O)C(CC(C)C)NC(N)=O
InChIInChI=1S/C13H24N4O3/c1-4-10-11(18)15-5-6-17(10)12(19)9(7-8(2)3)16-13(14)20/h8-10H,4-7H2,1-3H3,(H,15,18)(H3,14,16,20)
InChIKeyQVOOWQJVUSYEGY-UHFFFAOYSA-N
MW284.36 g/mol
LogP-0.19
Rot. Bonds5

About [1-(2-ethyl-3-oxopiperazin-1-yl)-4-methyl-1-oxopentan-2-yl]urea

[1-(2-ethyl-3-oxopiperazin-1-yl)-4-methyl-1-oxopentan-2-yl]urea (PubChem CID 63601168) has the molecular formula C13H24N4O3 and a molecular weight of 284.36 g/mol. Its IUPAC name is [1-(2-ethyl-3-oxopiperazin-1-yl)-4-methyl-1-oxopentan-2-yl]urea.

Molecular Properties

Compound Name[1-(2-ethyl-3-oxopiperazin-1-yl)-4-methyl-1-oxopentan-2-yl]urea
PubChem CID63601168
Molecular FormulaC13H24N4O3
Molecular Weight284.36 g/mol
Exact Mass284.18
IUPAC Name[1-(2-ethyl-3-oxopiperazin-1-yl)-4-methyl-1-oxopentan-2-yl]urea
SMILESCCC1C(=O)NCCN1C(=O)C(CC(C)C)NC(N)=O
InChIInChI=1S/C13H24N4O3/c1-4-10-11(18)15-5-6-17(10)12(19)9(7-8(2)3)16-13(14)20/h8-10H,4-7H2,1-3H3,(H,15,18)(H3,14,16,20)
InChIKeyQVOOWQJVUSYEGY-UHFFFAOYSA-N
XLogP-0.19
TPSA104.53 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 5-0.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-ethyl-4-(3-methyl-2-propan-2-ylbutanoyl)piperazin-2-one
CID 114282285
4-(2-bromopropanoyl)-3-ethylpiperazin-2-one
CID 107905248
3-amino-4-(2-ethyl-3-oxopiperazin-1-yl)-4-oxobutanoic acid
CID 64895581
4-(2-aminopentanoyl)-3-ethylpiperazin-2-one
CID 63602807
(2R)-2-[(2-ethyl-3-oxopiperazine-1-carbonyl)amino]pentanoic acid
CID 107566992
(2S)-2-ethyl-3-oxopiperazine-1-carbothioamide
CID 95240750
3-(2-ethyl-3-oxopiperazin-1-yl)-3-oxopropanethioamide
CID 63603860
3-ethyl-4-[2-(propan-2-ylamino)acetyl]piperazin-2-one
CID 63602812
1-[2-(carbamoylamino)-4-methylpentanoyl]-5-oxopiperazine-2-carboxylic acid
CID 107432952
4-(4-amino-3-methylbutanoyl)-3-ethylpiperazin-2-one
CID 81080644
4-[2-(butan-2-ylamino)acetyl]-3-ethylpiperazin-2-one
CID 63600887
2-ethyl-N-methyl-3-oxopiperazine-1-carbothioamide
CID 115617005

Frequently Asked Questions

What is the IUPAC name of [1-(2-ethyl-3-oxopiperazin-1-yl)-4-methyl-1-oxopentan-2-yl]urea?
The IUPAC name of [1-(2-ethyl-3-oxopiperazin-1-yl)-4-methyl-1-oxopentan-2-yl]urea (CID 63601168) is [1-(2-ethyl-3-oxopiperazin-1-yl)-4-methyl-1-oxopentan-2-yl]urea.
What is the SMILES notation for [1-(2-ethyl-3-oxopiperazin-1-yl)-4-methyl-1-oxopentan-2-yl]urea?
The canonical SMILES for [1-(2-ethyl-3-oxopiperazin-1-yl)-4-methyl-1-oxopentan-2-yl]urea is CCC1C(=O)NCCN1C(=O)C(CC(C)C)NC(N)=O.
What is the InChIKey of [1-(2-ethyl-3-oxopiperazin-1-yl)-4-methyl-1-oxopentan-2-yl]urea?
The InChIKey is QVOOWQJVUSYEGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O3/c1-4-10-11(18)15-5-6-17(10)12(19)9(7-8(2)3)16-13(14)20/h8-10H,4-7H2,1-3H3,(H,15,18)(H3,14,16,20).
What are the key properties of [1-(2-ethyl-3-oxopiperazin-1-yl)-4-methyl-1-oxopentan-2-yl]urea?
[1-(2-ethyl-3-oxopiperazin-1-yl)-4-methyl-1-oxopentan-2-yl]urea has a molecular weight of 284.36 g/mol, XLogP of -0.19, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-ethyl-3-oxopiperazin-1-yl)-4-methyl-1-oxopentan-2-yl]urea is sourced from PubChem (CID 63601168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).