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

C23H26N2O5 — CID 4946395

IUPACpropyl 2-[3-oxo-1-(2-phenylmethoxybenzoyl)piperazin-2-yl]acetate
SMILESCCCOC(=O)CC1C(=O)NCCN1C(=O)c1ccccc1OCc1ccccc1
InChIInChI=1S/C23H26N2O5/c1-2-14-29-21(26)15-19-22(27)24-12-13-25(19)23(28)18-10-6-7-11-20(18)30-16-17-8-4-3-5-9-17/h3-11,19H,2,12-16H2,1H3,(H,24,27)
InChIKeyNLUUNRCWJHNODJ-UHFFFAOYSA-N
MW410.47 g/mol
LogP2.55
Rot. Bonds8

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

propyl 2-[3-oxo-1-(2-phenylmethoxybenzoyl)piperazin-2-yl]acetate (PubChem CID 4946395) has the molecular formula C23H26N2O5 and a molecular weight of 410.47 g/mol. Its IUPAC name is propyl 2-[3-oxo-1-(2-phenylmethoxybenzoyl)piperazin-2-yl]acetate.

Molecular Properties

Compound Namepropyl 2-[3-oxo-1-(2-phenylmethoxybenzoyl)piperazin-2-yl]acetate
PubChem CID4946395
Molecular FormulaC23H26N2O5
Molecular Weight410.47 g/mol
Exact Mass410.18
IUPAC Namepropyl 2-[3-oxo-1-(2-phenylmethoxybenzoyl)piperazin-2-yl]acetate
SMILESCCCOC(=O)CC1C(=O)NCCN1C(=O)c1ccccc1OCc1ccccc1
InChIInChI=1S/C23H26N2O5/c1-2-14-29-21(26)15-19-22(27)24-12-13-25(19)23(28)18-10-6-7-11-20(18)30-16-17-8-4-3-5-9-17/h3-11,19H,2,12-16H2,1H3,(H,24,27)
InChIKeyNLUUNRCWJHNODJ-UHFFFAOYSA-N
XLogP2.55
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.47
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-methylbutyl 2-[3-oxo-1-(2-phenylmethoxybenzoyl)piperazin-2-yl]acetate
CID 17079792
propyl 2-[(2R)-3-oxo-1-(2-pentoxybenzoyl)piperazin-2-yl]acetate
CID 9232310
benzyl 2-[1-[2-(2-methylpropoxy)benzoyl]-3-oxopiperazin-2-yl]acetate
CID 4945449
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
2-phenoxyethyl 2-[3-oxo-1-(2-pentoxybenzoyl)piperazin-2-yl]acetate
CID 4946675
2-methylpropyl 2-[3-oxo-1-[2-(2-phenylethoxy)benzoyl]piperazin-2-yl]acetate
CID 19628199
3-methylbutyl 2-[1-(2-butoxybenzoyl)-3-oxopiperazin-2-yl]acetate
CID 17079785
decyl 2-[1-[2-(2-ethoxyethoxy)benzoyl]-3-oxopiperazin-2-yl]acetate
CID 17122807
benzyl 2-[3-oxo-1-(3-propoxybenzoyl)piperazin-2-yl]acetate
CID 4960076
benzyl 2-[1-[(2-hexoxybenzoyl)carbamothioyl]-3-oxopiperazin-2-yl]acetate
CID 4942652
pentyl 2-[1-(2-methylbenzoyl)-3-oxopiperazin-2-yl]acetate
CID 17073625

Frequently Asked Questions

What is the IUPAC name of propyl 2-[3-oxo-1-(2-phenylmethoxybenzoyl)piperazin-2-yl]acetate?
The IUPAC name of propyl 2-[3-oxo-1-(2-phenylmethoxybenzoyl)piperazin-2-yl]acetate (CID 4946395) is propyl 2-[3-oxo-1-(2-phenylmethoxybenzoyl)piperazin-2-yl]acetate.
What is the SMILES notation for propyl 2-[3-oxo-1-(2-phenylmethoxybenzoyl)piperazin-2-yl]acetate?
The canonical SMILES for propyl 2-[3-oxo-1-(2-phenylmethoxybenzoyl)piperazin-2-yl]acetate is CCCOC(=O)CC1C(=O)NCCN1C(=O)c1ccccc1OCc1ccccc1.
What is the InChIKey of propyl 2-[3-oxo-1-(2-phenylmethoxybenzoyl)piperazin-2-yl]acetate?
The InChIKey is NLUUNRCWJHNODJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O5/c1-2-14-29-21(26)15-19-22(27)24-12-13-25(19)23(28)18-10-6-7-11-20(18)30-16-17-8-4-3-5-9-17/h3-11,19H,2,12-16H2,1H3,(H,24,27).
What are the key properties of propyl 2-[3-oxo-1-(2-phenylmethoxybenzoyl)piperazin-2-yl]acetate?
propyl 2-[3-oxo-1-(2-phenylmethoxybenzoyl)piperazin-2-yl]acetate has a molecular weight of 410.47 g/mol, XLogP of 2.55, 8 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-(2-phenylmethoxybenzoyl)piperazin-2-yl]acetate is sourced from PubChem (CID 4946395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).