propyl 2-[3-oxo-1-(4-propan-2-yloxybenzoyl)piperazin-2-yl]acetate

C19H26N2O5 — CID 4951912

IUPACpropyl 2-[3-oxo-1-(4-propan-2-yloxybenzoyl)piperazin-2-yl]acetate
SMILESCCCOC(=O)CC1C(=O)NCCN1C(=O)c1ccc(OC(C)C)cc1
InChIInChI=1S/C19H26N2O5/c1-4-11-25-17(22)12-16-18(23)20-9-10-21(16)19(24)14-5-7-15(8-6-14)26-13(2)3/h5-8,13,16H,4,9-12H2,1-3H3,(H,20,23)
InChIKeyFFUPUKBCQQCKHY-UHFFFAOYSA-N
MW362.43 g/mol
LogP1.76
Rot. Bonds7

About propyl 2-[3-oxo-1-(4-propan-2-yloxybenzoyl)piperazin-2-yl]acetate

propyl 2-[3-oxo-1-(4-propan-2-yloxybenzoyl)piperazin-2-yl]acetate (PubChem CID 4951912) has the molecular formula C19H26N2O5 and a molecular weight of 362.43 g/mol. Its IUPAC name is propyl 2-[3-oxo-1-(4-propan-2-yloxybenzoyl)piperazin-2-yl]acetate.

Molecular Properties

Compound Namepropyl 2-[3-oxo-1-(4-propan-2-yloxybenzoyl)piperazin-2-yl]acetate
PubChem CID4951912
Molecular FormulaC19H26N2O5
Molecular Weight362.43 g/mol
Exact Mass362.18
IUPAC Namepropyl 2-[3-oxo-1-(4-propan-2-yloxybenzoyl)piperazin-2-yl]acetate
SMILESCCCOC(=O)CC1C(=O)NCCN1C(=O)c1ccc(OC(C)C)cc1
InChIInChI=1S/C19H26N2O5/c1-4-11-25-17(22)12-16-18(23)20-9-10-21(16)19(24)14-5-7-15(8-6-14)26-13(2)3/h5-8,13,16H,4,9-12H2,1-3H3,(H,20,23)
InChIKeyFFUPUKBCQQCKHY-UHFFFAOYSA-N
XLogP1.76
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

propyl 2-[3-oxo-1-(4-propoxybenzoyl)piperazin-2-yl]acetate
CID 4938477
propyl 2-[(2S)-1-[4-(2-methylpropoxy)benzoyl]-3-oxopiperazin-2-yl]acetate
CID 8714623
dodecyl 2-[1-(4-butan-2-yloxybenzoyl)-3-oxopiperazin-2-yl]acetate
CID 17141331
decyl 2-[1-(4-butan-2-yloxybenzoyl)-3-oxopiperazin-2-yl]acetate
CID 17141336
3-methylbutyl 2-[1-(4-butan-2-yloxybenzoyl)-3-oxopiperazin-2-yl]acetate
CID 17141329
butyl 2-[3-oxo-1-(4-propan-2-ylbenzoyl)piperazin-2-yl]acetate
CID 17177448
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
propan-2-yl 2-[1-(4-hexoxybenzoyl)-3-oxopiperazin-2-yl]acetate
CID 4933705
propyl 2-[(2S)-1-[(2S)-2-(4-ethylphenoxy)propanoyl]-3-oxopiperazin-2-yl]acetate
CID 9236888
decyl 2-[1-(4-ethoxybenzoyl)-3-oxopiperazin-2-yl]acetate
CID 17093920
butyl 2-[(2S)-3-oxo-1-(4-phenylbenzoyl)piperazin-2-yl]acetate
CID 9298063

Frequently Asked Questions

What is the IUPAC name of propyl 2-[3-oxo-1-(4-propan-2-yloxybenzoyl)piperazin-2-yl]acetate?
The IUPAC name of propyl 2-[3-oxo-1-(4-propan-2-yloxybenzoyl)piperazin-2-yl]acetate (CID 4951912) is propyl 2-[3-oxo-1-(4-propan-2-yloxybenzoyl)piperazin-2-yl]acetate.
What is the SMILES notation for propyl 2-[3-oxo-1-(4-propan-2-yloxybenzoyl)piperazin-2-yl]acetate?
The canonical SMILES for propyl 2-[3-oxo-1-(4-propan-2-yloxybenzoyl)piperazin-2-yl]acetate is CCCOC(=O)CC1C(=O)NCCN1C(=O)c1ccc(OC(C)C)cc1.
What is the InChIKey of propyl 2-[3-oxo-1-(4-propan-2-yloxybenzoyl)piperazin-2-yl]acetate?
The InChIKey is FFUPUKBCQQCKHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O5/c1-4-11-25-17(22)12-16-18(23)20-9-10-21(16)19(24)14-5-7-15(8-6-14)26-13(2)3/h5-8,13,16H,4,9-12H2,1-3H3,(H,20,23).
What are the key properties of propyl 2-[3-oxo-1-(4-propan-2-yloxybenzoyl)piperazin-2-yl]acetate?
propyl 2-[3-oxo-1-(4-propan-2-yloxybenzoyl)piperazin-2-yl]acetate has a molecular weight of 362.43 g/mol, XLogP of 1.76, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 2-[3-oxo-1-(4-propan-2-yloxybenzoyl)piperazin-2-yl]acetate is sourced from PubChem (CID 4951912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).