propyl 2-[(2S)-1-[4-(2-methylpropoxy)benzoyl]-3-oxopiperazin-2-yl]acetate

C20H28N2O5 — CID 8714623

IUPACpropyl 2-[(2S)-1-[4-(2-methylpropoxy)benzoyl]-3-oxopiperazin-2-yl]acetate
SMILESCCCOC(=O)C[C@H]1C(=O)NCCN1C(=O)c1ccc(OCC(C)C)cc1
InChIInChI=1S/C20H28N2O5/c1-4-11-26-18(23)12-17-19(24)21-9-10-22(17)20(25)15-5-7-16(8-6-15)27-13-14(2)3/h5-8,14,17H,4,9-13H2,1-3H3,(H,21,24)/t17-/m0/s1
InChIKeyKNZHKMGWCHOVBB-KRWDZBQOSA-N
MW376.45 g/mol
LogP2.01
Rot. Bonds8

About propyl 2-[(2S)-1-[4-(2-methylpropoxy)benzoyl]-3-oxopiperazin-2-yl]acetate

propyl 2-[(2S)-1-[4-(2-methylpropoxy)benzoyl]-3-oxopiperazin-2-yl]acetate (PubChem CID 8714623) has the molecular formula C20H28N2O5 and a molecular weight of 376.45 g/mol. Its IUPAC name is propyl 2-[(2S)-1-[4-(2-methylpropoxy)benzoyl]-3-oxopiperazin-2-yl]acetate.

Molecular Properties

Compound Namepropyl 2-[(2S)-1-[4-(2-methylpropoxy)benzoyl]-3-oxopiperazin-2-yl]acetate
PubChem CID8714623
Molecular FormulaC20H28N2O5
Molecular Weight376.45 g/mol
Exact Mass376.20
IUPAC Namepropyl 2-[(2S)-1-[4-(2-methylpropoxy)benzoyl]-3-oxopiperazin-2-yl]acetate
SMILESCCCOC(=O)C[C@H]1C(=O)NCCN1C(=O)c1ccc(OCC(C)C)cc1
InChIInChI=1S/C20H28N2O5/c1-4-11-26-18(23)12-17-19(24)21-9-10-22(17)20(25)15-5-7-16(8-6-15)27-13-14(2)3/h5-8,14,17H,4,9-13H2,1-3H3,(H,21,24)/t17-/m0/s1
InChIKeyKNZHKMGWCHOVBB-KRWDZBQOSA-N
XLogP2.01
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.45
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze propyl 2-[(2S)-1-[4-(2-methylpropoxy)benzoyl]-3-oxopiperazin-2-yl]acetate with MolForge

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Related Compounds

propyl 2-[3-oxo-1-(4-propoxybenzoyl)piperazin-2-yl]acetate
CID 4938477
propyl 2-[3-oxo-1-(4-propan-2-yloxybenzoyl)piperazin-2-yl]acetate
CID 4951912
propyl 2-[1-[3-bromo-4-(2-methylpropoxy)benzoyl]-3-oxopiperazin-2-yl]acetate
CID 17351672
pentyl 2-[1-(4-butoxybenzoyl)-3-oxopiperazin-2-yl]acetate
CID 17073678
butyl 2-[(2R)-3-oxo-1-(4-pentoxybenzoyl)piperazin-2-yl]acetate
CID 9298231
decyl 2-[1-(4-ethoxybenzoyl)-3-oxopiperazin-2-yl]acetate
CID 17093920
butyl 2-[3-oxo-1-(4-propan-2-ylbenzoyl)piperazin-2-yl]acetate
CID 17177448
propan-2-yl 2-[1-(4-hexoxybenzoyl)-3-oxopiperazin-2-yl]acetate
CID 4933705
3-phenylpropyl 2-[(2R)-1-(4-butoxybenzoyl)-3-oxopiperazin-2-yl]acetate
CID 42426956
3-methylbutyl 2-[1-(4-butan-2-yloxybenzoyl)-3-oxopiperazin-2-yl]acetate
CID 17141329
dodecyl 2-[1-[[4-(2-methylpropoxy)benzoyl]carbamothioyl]-3-oxopiperazin-2-yl]acetate
CID 17086538
decyl 2-[1-(4-butan-2-yloxybenzoyl)-3-oxopiperazin-2-yl]acetate
CID 17141336

Frequently Asked Questions

What is the IUPAC name of propyl 2-[(2S)-1-[4-(2-methylpropoxy)benzoyl]-3-oxopiperazin-2-yl]acetate?
The IUPAC name of propyl 2-[(2S)-1-[4-(2-methylpropoxy)benzoyl]-3-oxopiperazin-2-yl]acetate (CID 8714623) is propyl 2-[(2S)-1-[4-(2-methylpropoxy)benzoyl]-3-oxopiperazin-2-yl]acetate.
What is the SMILES notation for propyl 2-[(2S)-1-[4-(2-methylpropoxy)benzoyl]-3-oxopiperazin-2-yl]acetate?
The canonical SMILES for propyl 2-[(2S)-1-[4-(2-methylpropoxy)benzoyl]-3-oxopiperazin-2-yl]acetate is CCCOC(=O)C[C@H]1C(=O)NCCN1C(=O)c1ccc(OCC(C)C)cc1.
What is the InChIKey of propyl 2-[(2S)-1-[4-(2-methylpropoxy)benzoyl]-3-oxopiperazin-2-yl]acetate?
The InChIKey is KNZHKMGWCHOVBB-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H28N2O5/c1-4-11-26-18(23)12-17-19(24)21-9-10-22(17)20(25)15-5-7-16(8-6-15)27-13-14(2)3/h5-8,14,17H,4,9-13H2,1-3H3,(H,21,24)/t17-/m0/s1.
What are the key properties of propyl 2-[(2S)-1-[4-(2-methylpropoxy)benzoyl]-3-oxopiperazin-2-yl]acetate?
propyl 2-[(2S)-1-[4-(2-methylpropoxy)benzoyl]-3-oxopiperazin-2-yl]acetate has a molecular weight of 376.45 g/mol, XLogP of 2.01, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 2-[(2S)-1-[4-(2-methylpropoxy)benzoyl]-3-oxopiperazin-2-yl]acetate is sourced from PubChem (CID 8714623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).