2-methoxyethyl 2-[3-oxo-1-(piperidine-4-carbonyl)piperazin-2-yl]acetate

C15H25N3O5 — CID 54794481

IUPAC2-methoxyethyl 2-[3-oxo-1-(piperidine-4-carbonyl)piperazin-2-yl]acetate
SMILESCOCCOC(=O)CC1C(=O)NCCN1C(=O)C1CCNCC1
InChIInChI=1S/C15H25N3O5/c1-22-8-9-23-13(19)10-12-14(20)17-6-7-18(12)15(21)11-2-4-16-5-3-11/h11-12,16H,2-10H2,1H3,(H,17,20)
InChIKeyXLWLSMFIHXKRCW-UHFFFAOYSA-N
MW327.38 g/mol
LogP-1.11
Rot. Bonds6

About 2-methoxyethyl 2-[3-oxo-1-(piperidine-4-carbonyl)piperazin-2-yl]acetate

2-methoxyethyl 2-[3-oxo-1-(piperidine-4-carbonyl)piperazin-2-yl]acetate (PubChem CID 54794481) has the molecular formula C15H25N3O5 and a molecular weight of 327.38 g/mol. Its IUPAC name is 2-methoxyethyl 2-[3-oxo-1-(piperidine-4-carbonyl)piperazin-2-yl]acetate.

Molecular Properties

Compound Name2-methoxyethyl 2-[3-oxo-1-(piperidine-4-carbonyl)piperazin-2-yl]acetate
PubChem CID54794481
Molecular FormulaC15H25N3O5
Molecular Weight327.38 g/mol
Exact Mass327.18
IUPAC Name2-methoxyethyl 2-[3-oxo-1-(piperidine-4-carbonyl)piperazin-2-yl]acetate
SMILESCOCCOC(=O)CC1C(=O)NCCN1C(=O)C1CCNCC1
InChIInChI=1S/C15H25N3O5/c1-22-8-9-23-13(19)10-12-14(20)17-6-7-18(12)15(21)11-2-4-16-5-3-11/h11-12,16H,2-10H2,1H3,(H,17,20)
InChIKeyXLWLSMFIHXKRCW-UHFFFAOYSA-N
XLogP-1.11
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 5-1.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-methoxyethyl 2-[3-oxo-1-(piperidine-3-carbonyl)piperazin-2-yl]acetate
CID 54794823
decyl 2-[1-(cyclohexanecarbonyl)-3-oxopiperazin-2-yl]acetate
CID 17093877
ethyl 2-[3-oxo-1-(piperidine-3-carbonyl)piperazin-2-yl]acetate
CID 54794436
methyl 2-[(2S)-1-[(1S)-cyclohex-3-ene-1-carbonyl]-3-oxopiperazin-2-yl]acetate
CID 38870603
2-methoxyethyl 2-[1-[(2-chlorobenzoyl)carbamothioyl]-3-oxopiperazin-2-yl]acetate
CID 4959340
2-methoxyethyl 2-[1-[(4-bromobenzoyl)carbamothioyl]-3-oxopiperazin-2-yl]acetate
CID 54791516
dodecyl 2-[1-(6-methylpiperidine-2-carbonyl)-3-oxopiperazin-2-yl]acetate
CID 54856126
2-methoxyethyl 2-[1-[(2-methylbenzoyl)carbamothioyl]-3-oxopiperazin-2-yl]acetate
CID 4959366
ethyl 2-[1-(2-chloroacetyl)-3-oxopiperazin-2-yl]acetate
CID 18524131
2-methoxyethyl 2-[1-[4-(2-methylprop-2-enoxy)benzoyl]-3-oxopiperazin-2-yl]acetate
CID 17123814
2-methoxyethyl 2-[1-[3-(2-methylprop-2-enoxy)benzoyl]-3-oxopiperazin-2-yl]acetate
CID 17133110
pentyl 2-(1-heptanoyl-3-oxopiperazin-2-yl)acetate
CID 54789180

Frequently Asked Questions

What is the IUPAC name of 2-methoxyethyl 2-[3-oxo-1-(piperidine-4-carbonyl)piperazin-2-yl]acetate?
The IUPAC name of 2-methoxyethyl 2-[3-oxo-1-(piperidine-4-carbonyl)piperazin-2-yl]acetate (CID 54794481) is 2-methoxyethyl 2-[3-oxo-1-(piperidine-4-carbonyl)piperazin-2-yl]acetate.
What is the SMILES notation for 2-methoxyethyl 2-[3-oxo-1-(piperidine-4-carbonyl)piperazin-2-yl]acetate?
The canonical SMILES for 2-methoxyethyl 2-[3-oxo-1-(piperidine-4-carbonyl)piperazin-2-yl]acetate is COCCOC(=O)CC1C(=O)NCCN1C(=O)C1CCNCC1.
What is the InChIKey of 2-methoxyethyl 2-[3-oxo-1-(piperidine-4-carbonyl)piperazin-2-yl]acetate?
The InChIKey is XLWLSMFIHXKRCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O5/c1-22-8-9-23-13(19)10-12-14(20)17-6-7-18(12)15(21)11-2-4-16-5-3-11/h11-12,16H,2-10H2,1H3,(H,17,20).
What are the key properties of 2-methoxyethyl 2-[3-oxo-1-(piperidine-4-carbonyl)piperazin-2-yl]acetate?
2-methoxyethyl 2-[3-oxo-1-(piperidine-4-carbonyl)piperazin-2-yl]acetate has a molecular weight of 327.38 g/mol, XLogP of -1.11, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyethyl 2-[3-oxo-1-(piperidine-4-carbonyl)piperazin-2-yl]acetate is sourced from PubChem (CID 54794481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).