2-(1-octanoyl-3-oxopiperazin-2-yl)acetic acid

C14H24N2O4 — CID 62032428

IUPAC2-(1-octanoyl-3-oxopiperazin-2-yl)acetic acid
SMILESCCCCCCCC(=O)N1CCNC(=O)C1CC(=O)O
InChIInChI=1S/C14H24N2O4/c1-2-3-4-5-6-7-12(17)16-9-8-15-14(20)11(16)10-13(18)19/h11H,2-10H2,1H3,(H,15,20)(H,18,19)
InChIKeyOBMGDFWRENVXIO-UHFFFAOYSA-N
MW284.36 g/mol
LogP1.15
Rot. Bonds8

About 2-(1-octanoyl-3-oxopiperazin-2-yl)acetic acid

2-(1-octanoyl-3-oxopiperazin-2-yl)acetic acid (PubChem CID 62032428) has the molecular formula C14H24N2O4 and a molecular weight of 284.36 g/mol. Its IUPAC name is 2-(1-octanoyl-3-oxopiperazin-2-yl)acetic acid.

Molecular Properties

Compound Name2-(1-octanoyl-3-oxopiperazin-2-yl)acetic acid
PubChem CID62032428
Molecular FormulaC14H24N2O4
Molecular Weight284.36 g/mol
Exact Mass284.17
IUPAC Name2-(1-octanoyl-3-oxopiperazin-2-yl)acetic acid
SMILESCCCCCCCC(=O)N1CCNC(=O)C1CC(=O)O
InChIInChI=1S/C14H24N2O4/c1-2-3-4-5-6-7-12(17)16-9-8-15-14(20)11(16)10-13(18)19/h11H,2-10H2,1H3,(H,15,20)(H,18,19)
InChIKeyOBMGDFWRENVXIO-UHFFFAOYSA-N
XLogP1.15
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

pentyl 2-(1-heptanoyl-3-oxopiperazin-2-yl)acetate
CID 54789180
4-[2-(2-decoxy-2-oxoethyl)-3-oxopiperazin-1-yl]-4-oxobutanoic acid
CID 17093824
butan-2-yl 2-(3-oxo-1-tetradecanoylpiperazin-2-yl)acetate
CID 54789692
2-[1-(5-aminohexanoyl)-3-oxopiperazin-2-yl]acetic acid
CID 82851582
dodecyl 2-[1-(2-bromoacetyl)-3-oxopiperazin-2-yl]acetate
CID 46736621
2-[1-[(2-methylpropan-2-yl)oxycarbonyl]-3-oxopiperazin-2-yl]acetic acid
CID 2756051
pentyl 2-[(2S)-1-(2-bromoacetyl)-3-oxopiperazin-2-yl]acetate
CID 93083224
N-[6-(2-ethyl-3-oxopiperazin-1-yl)-6-oxohexyl]acetamide
CID 63601505
2-[1-[2-(1-methoxycyclobutyl)acetyl]-3-oxopiperazin-2-yl]acetic acid
CID 103555657
2-[1-[2-(2-aminoethoxy)acetyl]-3-oxopiperazin-2-yl]acetic acid
CID 79478909
4-(4-ethoxybutanoyl)-3-ethylpiperazin-2-one
CID 78947868
4-pentanoyl-3-propan-2-ylpiperazin-2-one
CID 110873304

Frequently Asked Questions

What is the IUPAC name of 2-(1-octanoyl-3-oxopiperazin-2-yl)acetic acid?
The IUPAC name of 2-(1-octanoyl-3-oxopiperazin-2-yl)acetic acid (CID 62032428) is 2-(1-octanoyl-3-oxopiperazin-2-yl)acetic acid.
What is the SMILES notation for 2-(1-octanoyl-3-oxopiperazin-2-yl)acetic acid?
The canonical SMILES for 2-(1-octanoyl-3-oxopiperazin-2-yl)acetic acid is CCCCCCCC(=O)N1CCNC(=O)C1CC(=O)O.
What is the InChIKey of 2-(1-octanoyl-3-oxopiperazin-2-yl)acetic acid?
The InChIKey is OBMGDFWRENVXIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O4/c1-2-3-4-5-6-7-12(17)16-9-8-15-14(20)11(16)10-13(18)19/h11H,2-10H2,1H3,(H,15,20)(H,18,19).
What are the key properties of 2-(1-octanoyl-3-oxopiperazin-2-yl)acetic acid?
2-(1-octanoyl-3-oxopiperazin-2-yl)acetic acid has a molecular weight of 284.36 g/mol, XLogP of 1.15, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-octanoyl-3-oxopiperazin-2-yl)acetic acid is sourced from PubChem (CID 62032428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).