2-phenoxyethyl 2-[3-oxo-1-(2-pentoxybenzoyl)piperazin-2-yl]acetate

C26H32N2O6 — CID 4946675

IUPAC2-phenoxyethyl 2-[3-oxo-1-(2-pentoxybenzoyl)piperazin-2-yl]acetate
SMILESCCCCCOc1ccccc1C(=O)N1CCNC(=O)C1CC(=O)OCCOc1ccccc1
InChIInChI=1S/C26H32N2O6/c1-2-3-9-16-33-23-13-8-7-12-21(23)26(31)28-15-14-27-25(30)22(28)19-24(29)34-18-17-32-20-10-5-4-6-11-20/h4-8,10-13,22H,2-3,9,14-19H2,1H3,(H,27,30)
InChIKeyHNMZGAUVRCOKRJ-UHFFFAOYSA-N
MW468.55 g/mol
LogP3.21
Rot. Bonds12

About 2-phenoxyethyl 2-[3-oxo-1-(2-pentoxybenzoyl)piperazin-2-yl]acetate

2-phenoxyethyl 2-[3-oxo-1-(2-pentoxybenzoyl)piperazin-2-yl]acetate (PubChem CID 4946675) has the molecular formula C26H32N2O6 and a molecular weight of 468.55 g/mol. Its IUPAC name is 2-phenoxyethyl 2-[3-oxo-1-(2-pentoxybenzoyl)piperazin-2-yl]acetate.

Molecular Properties

Compound Name2-phenoxyethyl 2-[3-oxo-1-(2-pentoxybenzoyl)piperazin-2-yl]acetate
PubChem CID4946675
Molecular FormulaC26H32N2O6
Molecular Weight468.55 g/mol
Exact Mass468.23
IUPAC Name2-phenoxyethyl 2-[3-oxo-1-(2-pentoxybenzoyl)piperazin-2-yl]acetate
SMILESCCCCCOc1ccccc1C(=O)N1CCNC(=O)C1CC(=O)OCCOc1ccccc1
InChIInChI=1S/C26H32N2O6/c1-2-3-9-16-33-23-13-8-7-12-21(23)26(31)28-15-14-27-25(30)22(28)19-24(29)34-18-17-32-20-10-5-4-6-11-20/h4-8,10-13,22H,2-3,9,14-19H2,1H3,(H,27,30)
InChIKeyHNMZGAUVRCOKRJ-UHFFFAOYSA-N
XLogP3.21
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.55
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

propyl 2-[(2R)-3-oxo-1-(2-pentoxybenzoyl)piperazin-2-yl]acetate
CID 9232310
decyl 2-[1-[2-(2-ethoxyethoxy)benzoyl]-3-oxopiperazin-2-yl]acetate
CID 17122807
2-phenoxyethyl 2-[1-(5-bromo-2-hexoxybenzoyl)-3-oxopiperazin-2-yl]acetate
CID 17343427
2-phenoxyethyl 2-[1-[(2-hexoxybenzoyl)carbamothioyl]-3-oxopiperazin-2-yl]acetate
CID 4942695
butyl 2-[(2R)-1-(2-ethoxybenzoyl)-3-oxopiperazin-2-yl]acetate
CID 9298216
3-phenylpropyl 2-[1-[2-(2-ethoxyethoxy)benzoyl]-3-oxopiperazin-2-yl]acetate
CID 17122760
3-methylbutyl 2-[1-(2-butoxybenzoyl)-3-oxopiperazin-2-yl]acetate
CID 17079785
2-phenoxyethyl 2-[1-(3-bromo-4-hexoxybenzoyl)-3-oxopiperazin-2-yl]acetate
CID 4959536
pentyl 2-[1-(2-methylbenzoyl)-3-oxopiperazin-2-yl]acetate
CID 17073625
propyl 2-[3-oxo-1-(2-phenylmethoxybenzoyl)piperazin-2-yl]acetate
CID 4946395
2-phenoxyethyl 2-[1-(3-butoxybenzoyl)-3-oxopiperazin-2-yl]acetate
CID 4956556
2-phenylethyl 2-[1-(4-heptoxybenzoyl)-3-oxopiperazin-2-yl]acetate
CID 4950718

Frequently Asked Questions

What is the IUPAC name of 2-phenoxyethyl 2-[3-oxo-1-(2-pentoxybenzoyl)piperazin-2-yl]acetate?
The IUPAC name of 2-phenoxyethyl 2-[3-oxo-1-(2-pentoxybenzoyl)piperazin-2-yl]acetate (CID 4946675) is 2-phenoxyethyl 2-[3-oxo-1-(2-pentoxybenzoyl)piperazin-2-yl]acetate.
What is the SMILES notation for 2-phenoxyethyl 2-[3-oxo-1-(2-pentoxybenzoyl)piperazin-2-yl]acetate?
The canonical SMILES for 2-phenoxyethyl 2-[3-oxo-1-(2-pentoxybenzoyl)piperazin-2-yl]acetate is CCCCCOc1ccccc1C(=O)N1CCNC(=O)C1CC(=O)OCCOc1ccccc1.
What is the InChIKey of 2-phenoxyethyl 2-[3-oxo-1-(2-pentoxybenzoyl)piperazin-2-yl]acetate?
The InChIKey is HNMZGAUVRCOKRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N2O6/c1-2-3-9-16-33-23-13-8-7-12-21(23)26(31)28-15-14-27-25(30)22(28)19-24(29)34-18-17-32-20-10-5-4-6-11-20/h4-8,10-13,22H,2-3,9,14-19H2,1H3,(H,27,30).
What are the key properties of 2-phenoxyethyl 2-[3-oxo-1-(2-pentoxybenzoyl)piperazin-2-yl]acetate?
2-phenoxyethyl 2-[3-oxo-1-(2-pentoxybenzoyl)piperazin-2-yl]acetate has a molecular weight of 468.55 g/mol, XLogP of 3.21, 12 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenoxyethyl 2-[3-oxo-1-(2-pentoxybenzoyl)piperazin-2-yl]acetate is sourced from PubChem (CID 4946675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).