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

C21H30N2O5 — CID 9232310

IUPACpropyl 2-[(2R)-3-oxo-1-(2-pentoxybenzoyl)piperazin-2-yl]acetate
SMILESCCCCCOc1ccccc1C(=O)N1CCNC(=O)[C@H]1CC(=O)OCCC
InChIInChI=1S/C21H30N2O5/c1-3-5-8-14-27-18-10-7-6-9-16(18)21(26)23-12-11-22-20(25)17(23)15-19(24)28-13-4-2/h6-7,9-10,17H,3-5,8,11-15H2,1-2H3,(H,22,25)/t17-/m1/s1
InChIKeyHJMCQWMSMZKFPG-QGZVFWFLSA-N
MW390.48 g/mol
LogP2.54
Rot. Bonds10

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

propyl 2-[(2R)-3-oxo-1-(2-pentoxybenzoyl)piperazin-2-yl]acetate (PubChem CID 9232310) has the molecular formula C21H30N2O5 and a molecular weight of 390.48 g/mol. Its IUPAC name is propyl 2-[(2R)-3-oxo-1-(2-pentoxybenzoyl)piperazin-2-yl]acetate.

Molecular Properties

Compound Namepropyl 2-[(2R)-3-oxo-1-(2-pentoxybenzoyl)piperazin-2-yl]acetate
PubChem CID9232310
Molecular FormulaC21H30N2O5
Molecular Weight390.48 g/mol
Exact Mass390.22
IUPAC Namepropyl 2-[(2R)-3-oxo-1-(2-pentoxybenzoyl)piperazin-2-yl]acetate
SMILESCCCCCOc1ccccc1C(=O)N1CCNC(=O)[C@H]1CC(=O)OCCC
InChIInChI=1S/C21H30N2O5/c1-3-5-8-14-27-18-10-7-6-9-16(18)21(26)23-12-11-22-20(25)17(23)15-19(24)28-13-4-2/h6-7,9-10,17H,3-5,8,11-15H2,1-2H3,(H,22,25)/t17-/m1/s1
InChIKeyHJMCQWMSMZKFPG-QGZVFWFLSA-N
XLogP2.54
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.48
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-phenoxyethyl 2-[3-oxo-1-(2-pentoxybenzoyl)piperazin-2-yl]acetate
CID 4946675
decyl 2-[1-[2-(2-ethoxyethoxy)benzoyl]-3-oxopiperazin-2-yl]acetate
CID 17122807
butyl 2-[(2R)-1-(2-ethoxybenzoyl)-3-oxopiperazin-2-yl]acetate
CID 9298216
3-methylbutyl 2-[1-(2-butoxybenzoyl)-3-oxopiperazin-2-yl]acetate
CID 17079785
propyl 2-[3-oxo-1-(2-phenylmethoxybenzoyl)piperazin-2-yl]acetate
CID 4946395
pentyl 2-[1-(2-methylbenzoyl)-3-oxopiperazin-2-yl]acetate
CID 17073625
decyl 2-[1-(5-bromo-2-hexoxybenzoyl)-3-oxopiperazin-2-yl]acetate
CID 17093976
3-phenylpropyl 2-[1-[2-(2-ethoxyethoxy)benzoyl]-3-oxopiperazin-2-yl]acetate
CID 17122760
2-phenoxyethyl 2-[1-(5-bromo-2-hexoxybenzoyl)-3-oxopiperazin-2-yl]acetate
CID 17343427
butyl 2-[1-(2-fluorobenzoyl)-3-oxopiperazin-2-yl]acetate
CID 4959194
dodecyl 2-[1-[[2-(2-methoxyethoxy)benzoyl]carbamothioyl]-3-oxopiperazin-2-yl]acetate
CID 17086573
2-methylpropyl 2-[3-oxo-1-[2-(2-phenylethoxy)benzoyl]piperazin-2-yl]acetate
CID 19628199

Frequently Asked Questions

What is the IUPAC name of propyl 2-[(2R)-3-oxo-1-(2-pentoxybenzoyl)piperazin-2-yl]acetate?
The IUPAC name of propyl 2-[(2R)-3-oxo-1-(2-pentoxybenzoyl)piperazin-2-yl]acetate (CID 9232310) is propyl 2-[(2R)-3-oxo-1-(2-pentoxybenzoyl)piperazin-2-yl]acetate.
What is the SMILES notation for propyl 2-[(2R)-3-oxo-1-(2-pentoxybenzoyl)piperazin-2-yl]acetate?
The canonical SMILES for propyl 2-[(2R)-3-oxo-1-(2-pentoxybenzoyl)piperazin-2-yl]acetate is CCCCCOc1ccccc1C(=O)N1CCNC(=O)[C@H]1CC(=O)OCCC.
What is the InChIKey of propyl 2-[(2R)-3-oxo-1-(2-pentoxybenzoyl)piperazin-2-yl]acetate?
The InChIKey is HJMCQWMSMZKFPG-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H30N2O5/c1-3-5-8-14-27-18-10-7-6-9-16(18)21(26)23-12-11-22-20(25)17(23)15-19(24)28-13-4-2/h6-7,9-10,17H,3-5,8,11-15H2,1-2H3,(H,22,25)/t17-/m1/s1.
What are the key properties of propyl 2-[(2R)-3-oxo-1-(2-pentoxybenzoyl)piperazin-2-yl]acetate?
propyl 2-[(2R)-3-oxo-1-(2-pentoxybenzoyl)piperazin-2-yl]acetate has a molecular weight of 390.48 g/mol, XLogP of 2.54, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 2-[(2R)-3-oxo-1-(2-pentoxybenzoyl)piperazin-2-yl]acetate is sourced from PubChem (CID 9232310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).