3-phenylpropyl 2-[1-[2-(2-ethoxyethoxy)benzoyl]-3-oxopiperazin-2-yl]acetate

C26H32N2O6 — CID 17122760

IUPAC3-phenylpropyl 2-[1-[2-(2-ethoxyethoxy)benzoyl]-3-oxopiperazin-2-yl]acetate
SMILESCCOCCOc1ccccc1C(=O)N1CCNC(=O)C1CC(=O)OCCCc1ccccc1
InChIInChI=1S/C26H32N2O6/c1-2-32-17-18-33-23-13-7-6-12-21(23)26(31)28-15-14-27-25(30)22(28)19-24(29)34-16-8-11-20-9-4-3-5-10-20/h3-7,9-10,12-13,22H,2,8,11,14-19H2,1H3,(H,27,30)
InChIKeyNPRSNICCBATPHN-UHFFFAOYSA-N
MW468.55 g/mol
LogP2.61
Rot. Bonds12

About 3-phenylpropyl 2-[1-[2-(2-ethoxyethoxy)benzoyl]-3-oxopiperazin-2-yl]acetate

3-phenylpropyl 2-[1-[2-(2-ethoxyethoxy)benzoyl]-3-oxopiperazin-2-yl]acetate (PubChem CID 17122760) has the molecular formula C26H32N2O6 and a molecular weight of 468.55 g/mol. Its IUPAC name is 3-phenylpropyl 2-[1-[2-(2-ethoxyethoxy)benzoyl]-3-oxopiperazin-2-yl]acetate.

Molecular Properties

Compound Name3-phenylpropyl 2-[1-[2-(2-ethoxyethoxy)benzoyl]-3-oxopiperazin-2-yl]acetate
PubChem CID17122760
Molecular FormulaC26H32N2O6
Molecular Weight468.55 g/mol
Exact Mass468.23
IUPAC Name3-phenylpropyl 2-[1-[2-(2-ethoxyethoxy)benzoyl]-3-oxopiperazin-2-yl]acetate
SMILESCCOCCOc1ccccc1C(=O)N1CCNC(=O)C1CC(=O)OCCCc1ccccc1
InChIInChI=1S/C26H32N2O6/c1-2-32-17-18-33-23-13-7-6-12-21(23)26(31)28-15-14-27-25(30)22(28)19-24(29)34-16-8-11-20-9-4-3-5-10-20/h3-7,9-10,12-13,22H,2,8,11,14-19H2,1H3,(H,27,30)
InChIKeyNPRSNICCBATPHN-UHFFFAOYSA-N
XLogP2.61
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 ≤ 52.61
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

decyl 2-[1-[2-(2-ethoxyethoxy)benzoyl]-3-oxopiperazin-2-yl]acetate
CID 17122807
2-phenoxyethyl 2-[3-oxo-1-(2-pentoxybenzoyl)piperazin-2-yl]acetate
CID 4946675
butyl 2-[(2R)-1-(2-ethoxybenzoyl)-3-oxopiperazin-2-yl]acetate
CID 9298216
2-methylpropyl 2-[3-oxo-1-[2-(2-phenylethoxy)benzoyl]piperazin-2-yl]acetate
CID 19628199
3-phenylpropyl 2-[1-[5-bromo-2-(2-methoxyethoxy)benzoyl]-3-oxopiperazin-2-yl]acetate
CID 17357291
propyl 2-[3-oxo-1-(2-phenylmethoxybenzoyl)piperazin-2-yl]acetate
CID 4946395
propyl 2-[(2R)-3-oxo-1-(2-pentoxybenzoyl)piperazin-2-yl]acetate
CID 9232310
3-methylbutyl 2-[1-(2-butoxybenzoyl)-3-oxopiperazin-2-yl]acetate
CID 17079785
3-phenylpropyl 2-[(2R)-1-(4-butoxybenzoyl)-3-oxopiperazin-2-yl]acetate
CID 42426956
3-methylbutyl 2-[3-oxo-1-(2-phenylmethoxybenzoyl)piperazin-2-yl]acetate
CID 17079792
benzyl 2-[1-[2-(2-methylpropoxy)benzoyl]-3-oxopiperazin-2-yl]acetate
CID 4945449
2-phenylethyl 2-[1-[(2-ethoxybenzoyl)carbamothioyl]-3-oxopiperazin-2-yl]acetate
CID 4926961

Frequently Asked Questions

What is the IUPAC name of 3-phenylpropyl 2-[1-[2-(2-ethoxyethoxy)benzoyl]-3-oxopiperazin-2-yl]acetate?
The IUPAC name of 3-phenylpropyl 2-[1-[2-(2-ethoxyethoxy)benzoyl]-3-oxopiperazin-2-yl]acetate (CID 17122760) is 3-phenylpropyl 2-[1-[2-(2-ethoxyethoxy)benzoyl]-3-oxopiperazin-2-yl]acetate.
What is the SMILES notation for 3-phenylpropyl 2-[1-[2-(2-ethoxyethoxy)benzoyl]-3-oxopiperazin-2-yl]acetate?
The canonical SMILES for 3-phenylpropyl 2-[1-[2-(2-ethoxyethoxy)benzoyl]-3-oxopiperazin-2-yl]acetate is CCOCCOc1ccccc1C(=O)N1CCNC(=O)C1CC(=O)OCCCc1ccccc1.
What is the InChIKey of 3-phenylpropyl 2-[1-[2-(2-ethoxyethoxy)benzoyl]-3-oxopiperazin-2-yl]acetate?
The InChIKey is NPRSNICCBATPHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N2O6/c1-2-32-17-18-33-23-13-7-6-12-21(23)26(31)28-15-14-27-25(30)22(28)19-24(29)34-16-8-11-20-9-4-3-5-10-20/h3-7,9-10,12-13,22H,2,8,11,14-19H2,1H3,(H,27,30).
What are the key properties of 3-phenylpropyl 2-[1-[2-(2-ethoxyethoxy)benzoyl]-3-oxopiperazin-2-yl]acetate?
3-phenylpropyl 2-[1-[2-(2-ethoxyethoxy)benzoyl]-3-oxopiperazin-2-yl]acetate has a molecular weight of 468.55 g/mol, XLogP of 2.61, 12 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenylpropyl 2-[1-[2-(2-ethoxyethoxy)benzoyl]-3-oxopiperazin-2-yl]acetate is sourced from PubChem (CID 17122760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).