4-(2-aminopentanoyl)-3-ethylpiperazin-2-one

C11H21N3O2 — CID 63602807

IUPAC4-(2-aminopentanoyl)-3-ethylpiperazin-2-one
SMILESCCCC(N)C(=O)N1CCNC(=O)C1CC
InChIInChI=1S/C11H21N3O2/c1-3-5-8(12)11(16)14-7-6-13-10(15)9(14)4-2/h8-9H,3-7,12H2,1-2H3,(H,13,15)
InChIKeyRSMKOLCOYZONGH-UHFFFAOYSA-N
MW227.31 g/mol
LogP-0.15
Rot. Bonds4

About 4-(2-aminopentanoyl)-3-ethylpiperazin-2-one

4-(2-aminopentanoyl)-3-ethylpiperazin-2-one (PubChem CID 63602807) has the molecular formula C11H21N3O2 and a molecular weight of 227.31 g/mol. Its IUPAC name is 4-(2-aminopentanoyl)-3-ethylpiperazin-2-one.

Molecular Properties

Compound Name4-(2-aminopentanoyl)-3-ethylpiperazin-2-one
PubChem CID63602807
Molecular FormulaC11H21N3O2
Molecular Weight227.31 g/mol
Exact Mass227.16
IUPAC Name4-(2-aminopentanoyl)-3-ethylpiperazin-2-one
SMILESCCCC(N)C(=O)N1CCNC(=O)C1CC
InChIInChI=1S/C11H21N3O2/c1-3-5-8(12)11(16)14-7-6-13-10(15)9(14)4-2/h8-9H,3-7,12H2,1-2H3,(H,13,15)
InChIKeyRSMKOLCOYZONGH-UHFFFAOYSA-N
XLogP-0.15
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 5-0.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-4-(2-ethyl-3-oxopiperazin-1-yl)-4-oxobutanoic acid
CID 64895581
4-(2-amino-5-methoxypentanoyl)-3-ethylpiperazin-2-one
CID 81088563
3-ethyl-4-(3-methyl-2-propan-2-ylbutanoyl)piperazin-2-one
CID 114282285
3-ethyl-4-(2-ethylhexanoyl)piperazin-2-one
CID 63600640
4-(2-bromopropanoyl)-3-ethylpiperazin-2-one
CID 107905248
(2R)-2-[(2-ethyl-3-oxopiperazine-1-carbonyl)amino]pentanoic acid
CID 107566992
4-[2-amino-2-(1-methylpyrazol-4-yl)acetyl]-3-ethylpiperazin-2-one
CID 115290708
(2S)-2-ethyl-3-oxopiperazine-1-carbothioamide
CID 95240750
[1-(2-ethyl-3-oxopiperazin-1-yl)-4-methyl-1-oxopentan-2-yl]urea
CID 63601168
ethyl 2-(2-ethyl-3-oxopiperazin-1-yl)-2-oxoacetate
CID 63603542
4-(4-amino-3-methylbutanoyl)-3-ethylpiperazin-2-one
CID 81080644
3-(2-ethyl-3-oxopiperazin-1-yl)-3-oxopropanethioamide
CID 63603860

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminopentanoyl)-3-ethylpiperazin-2-one?
The IUPAC name of 4-(2-aminopentanoyl)-3-ethylpiperazin-2-one (CID 63602807) is 4-(2-aminopentanoyl)-3-ethylpiperazin-2-one.
What is the SMILES notation for 4-(2-aminopentanoyl)-3-ethylpiperazin-2-one?
The canonical SMILES for 4-(2-aminopentanoyl)-3-ethylpiperazin-2-one is CCCC(N)C(=O)N1CCNC(=O)C1CC.
What is the InChIKey of 4-(2-aminopentanoyl)-3-ethylpiperazin-2-one?
The InChIKey is RSMKOLCOYZONGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O2/c1-3-5-8(12)11(16)14-7-6-13-10(15)9(14)4-2/h8-9H,3-7,12H2,1-2H3,(H,13,15).
What are the key properties of 4-(2-aminopentanoyl)-3-ethylpiperazin-2-one?
4-(2-aminopentanoyl)-3-ethylpiperazin-2-one has a molecular weight of 227.31 g/mol, XLogP of -0.15, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminopentanoyl)-3-ethylpiperazin-2-one is sourced from PubChem (CID 63602807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).