butan-2-yl 2-(3-oxo-1-tetradecanoylpiperazin-2-yl)acetate

C24H44N2O4 — CID 54789692

IUPACbutan-2-yl 2-(3-oxo-1-tetradecanoylpiperazin-2-yl)acetate
SMILESCCCCCCCCCCCCCC(=O)N1CCNC(=O)C1CC(=O)OC(C)CC
InChIInChI=1S/C24H44N2O4/c1-4-6-7-8-9-10-11-12-13-14-15-16-22(27)26-18-17-25-24(29)21(26)19-23(28)30-20(3)5-2/h20-21H,4-19H2,1-3H3,(H,25,29)
InChIKeyJMRVKIVULTZODZ-UHFFFAOYSA-N
MW424.63 g/mol
LogP4.75
Rot. Bonds16

About butan-2-yl 2-(3-oxo-1-tetradecanoylpiperazin-2-yl)acetate

butan-2-yl 2-(3-oxo-1-tetradecanoylpiperazin-2-yl)acetate (PubChem CID 54789692) has the molecular formula C24H44N2O4 and a molecular weight of 424.63 g/mol. Its IUPAC name is butan-2-yl 2-(3-oxo-1-tetradecanoylpiperazin-2-yl)acetate.

Molecular Properties

Compound Namebutan-2-yl 2-(3-oxo-1-tetradecanoylpiperazin-2-yl)acetate
PubChem CID54789692
Molecular FormulaC24H44N2O4
Molecular Weight424.63 g/mol
Exact Mass424.33
IUPAC Namebutan-2-yl 2-(3-oxo-1-tetradecanoylpiperazin-2-yl)acetate
SMILESCCCCCCCCCCCCCC(=O)N1CCNC(=O)C1CC(=O)OC(C)CC
InChIInChI=1S/C24H44N2O4/c1-4-6-7-8-9-10-11-12-13-14-15-16-22(27)26-18-17-25-24(29)21(26)19-23(28)30-20(3)5-2/h20-21H,4-19H2,1-3H3,(H,25,29)
InChIKeyJMRVKIVULTZODZ-UHFFFAOYSA-N
XLogP4.75
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.63
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

butan-2-yl 2-[1-(4-chlorobutanoyl)-3-oxopiperazin-2-yl]acetate
CID 54792713
pentyl 2-(1-heptanoyl-3-oxopiperazin-2-yl)acetate
CID 54789180
2-(1-octanoyl-3-oxopiperazin-2-yl)acetic acid
CID 62032428
4-[2-(2-decoxy-2-oxoethyl)-3-oxopiperazin-1-yl]-4-oxobutanoic acid
CID 17093824
2-[2-(2-butan-2-yloxy-2-oxoethyl)-3-oxopiperazine-1-carbonyl]cyclohexane-1-carboxylic acid
CID 17096882
dodecyl 2-[1-(2-bromoacetyl)-3-oxopiperazin-2-yl]acetate
CID 46736621
butan-2-yl 2-[3-oxo-1-[2-(4-phenylphenoxy)acetyl]piperazin-2-yl]acetate
CID 17096909
butan-2-yl 2-[1-(cyclopropanecarbonylcarbamothioyl)-3-oxopiperazin-2-yl]acetate
CID 17097118
pentyl 2-[(2S)-1-(2-bromoacetyl)-3-oxopiperazin-2-yl]acetate
CID 93083224
butan-2-yl 2-[1-(2-methoxybenzoyl)-3-oxopiperazin-2-yl]acetate
CID 17096892
butan-2-yl 2-[1-[2-(2-bromo-4-ethylphenoxy)acetyl]-3-oxopiperazin-2-yl]acetate
CID 17096888
propan-2-yl 2-[1-(4-hexoxybenzoyl)-3-oxopiperazin-2-yl]acetate
CID 4933705

Frequently Asked Questions

What is the IUPAC name of butan-2-yl 2-(3-oxo-1-tetradecanoylpiperazin-2-yl)acetate?
The IUPAC name of butan-2-yl 2-(3-oxo-1-tetradecanoylpiperazin-2-yl)acetate (CID 54789692) is butan-2-yl 2-(3-oxo-1-tetradecanoylpiperazin-2-yl)acetate.
What is the SMILES notation for butan-2-yl 2-(3-oxo-1-tetradecanoylpiperazin-2-yl)acetate?
The canonical SMILES for butan-2-yl 2-(3-oxo-1-tetradecanoylpiperazin-2-yl)acetate is CCCCCCCCCCCCCC(=O)N1CCNC(=O)C1CC(=O)OC(C)CC.
What is the InChIKey of butan-2-yl 2-(3-oxo-1-tetradecanoylpiperazin-2-yl)acetate?
The InChIKey is JMRVKIVULTZODZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H44N2O4/c1-4-6-7-8-9-10-11-12-13-14-15-16-22(27)26-18-17-25-24(29)21(26)19-23(28)30-20(3)5-2/h20-21H,4-19H2,1-3H3,(H,25,29).
What are the key properties of butan-2-yl 2-(3-oxo-1-tetradecanoylpiperazin-2-yl)acetate?
butan-2-yl 2-(3-oxo-1-tetradecanoylpiperazin-2-yl)acetate has a molecular weight of 424.63 g/mol, XLogP of 4.75, 16 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for butan-2-yl 2-(3-oxo-1-tetradecanoylpiperazin-2-yl)acetate is sourced from PubChem (CID 54789692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).