decyl 2-[1-(cyclohexanecarbonyl)-3-oxopiperazin-2-yl]acetate

C23H40N2O4 — CID 17093877

IUPACdecyl 2-[1-(cyclohexanecarbonyl)-3-oxopiperazin-2-yl]acetate
SMILESCCCCCCCCCCOC(=O)CC1C(=O)NCCN1C(=O)C1CCCCC1
InChIInChI=1S/C23H40N2O4/c1-2-3-4-5-6-7-8-12-17-29-21(26)18-20-22(27)24-15-16-25(20)23(28)19-13-10-9-11-14-19/h19-20H,2-18H2,1H3,(H,24,27)
InChIKeyGMHBRIILOBBTNT-UHFFFAOYSA-N
MW408.58 g/mol
LogP3.97
Rot. Bonds12

About decyl 2-[1-(cyclohexanecarbonyl)-3-oxopiperazin-2-yl]acetate

decyl 2-[1-(cyclohexanecarbonyl)-3-oxopiperazin-2-yl]acetate (PubChem CID 17093877) has the molecular formula C23H40N2O4 and a molecular weight of 408.58 g/mol. Its IUPAC name is decyl 2-[1-(cyclohexanecarbonyl)-3-oxopiperazin-2-yl]acetate.

Molecular Properties

Compound Namedecyl 2-[1-(cyclohexanecarbonyl)-3-oxopiperazin-2-yl]acetate
PubChem CID17093877
Molecular FormulaC23H40N2O4
Molecular Weight408.58 g/mol
Exact Mass408.30
IUPAC Namedecyl 2-[1-(cyclohexanecarbonyl)-3-oxopiperazin-2-yl]acetate
SMILESCCCCCCCCCCOC(=O)CC1C(=O)NCCN1C(=O)C1CCCCC1
InChIInChI=1S/C23H40N2O4/c1-2-3-4-5-6-7-8-12-17-29-21(26)18-20-22(27)24-15-16-25(20)23(28)19-13-10-9-11-14-19/h19-20H,2-18H2,1H3,(H,24,27)
InChIKeyGMHBRIILOBBTNT-UHFFFAOYSA-N
XLogP3.97
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.58
LogP ≤ 53.97
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

decyl 2-[1-(cyclohexanecarbonylcarbamothioyl)-3-oxopiperazin-2-yl]acetate
CID 17094120
dodecyl 2-[1-(6-methylpiperidine-2-carbonyl)-3-oxopiperazin-2-yl]acetate
CID 54856126
pentyl 2-(1-heptanoyl-3-oxopiperazin-2-yl)acetate
CID 54789180
dodecyl 2-[1-(2-bromoacetyl)-3-oxopiperazin-2-yl]acetate
CID 46736621
4-[2-(2-decoxy-2-oxoethyl)-3-oxopiperazin-1-yl]-4-oxobutanoic acid
CID 17093824
pentyl 2-[1-[(2-cyclopentylacetyl)carbamothioyl]-3-oxopiperazin-2-yl]acetate
CID 54786823
pentyl 2-[(2S)-1-(2-bromoacetyl)-3-oxopiperazin-2-yl]acetate
CID 93083224
dodecyl 2-[3-oxo-1-(propanoylcarbamothioyl)piperazin-2-yl]acetate
CID 17086484
decyl 2-[3-oxo-1-(prop-2-enylcarbamothioyl)piperazin-2-yl]acetate
CID 43878504
butyl 2-[1-[2-(cyclohexylamino)acetyl]-3-oxopiperazin-2-yl]acetate
CID 54816661
2-methoxyethyl 2-[3-oxo-1-(piperidine-4-carbonyl)piperazin-2-yl]acetate
CID 54794481
ethyl 2-[3-oxo-1-(piperidine-3-carbonyl)piperazin-2-yl]acetate
CID 54794436

Frequently Asked Questions

What is the IUPAC name of decyl 2-[1-(cyclohexanecarbonyl)-3-oxopiperazin-2-yl]acetate?
The IUPAC name of decyl 2-[1-(cyclohexanecarbonyl)-3-oxopiperazin-2-yl]acetate (CID 17093877) is decyl 2-[1-(cyclohexanecarbonyl)-3-oxopiperazin-2-yl]acetate.
What is the SMILES notation for decyl 2-[1-(cyclohexanecarbonyl)-3-oxopiperazin-2-yl]acetate?
The canonical SMILES for decyl 2-[1-(cyclohexanecarbonyl)-3-oxopiperazin-2-yl]acetate is CCCCCCCCCCOC(=O)CC1C(=O)NCCN1C(=O)C1CCCCC1.
What is the InChIKey of decyl 2-[1-(cyclohexanecarbonyl)-3-oxopiperazin-2-yl]acetate?
The InChIKey is GMHBRIILOBBTNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H40N2O4/c1-2-3-4-5-6-7-8-12-17-29-21(26)18-20-22(27)24-15-16-25(20)23(28)19-13-10-9-11-14-19/h19-20H,2-18H2,1H3,(H,24,27).
What are the key properties of decyl 2-[1-(cyclohexanecarbonyl)-3-oxopiperazin-2-yl]acetate?
decyl 2-[1-(cyclohexanecarbonyl)-3-oxopiperazin-2-yl]acetate has a molecular weight of 408.58 g/mol, XLogP of 3.97, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for decyl 2-[1-(cyclohexanecarbonyl)-3-oxopiperazin-2-yl]acetate is sourced from PubChem (CID 17093877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).