propyl 2-[1-[(4-fluorophenyl)methyl]-3-oxopiperazin-2-yl]acetate

C16H21FN2O3 — CID 4777785

IUPACpropyl 2-[1-[(4-fluorophenyl)methyl]-3-oxopiperazin-2-yl]acetate
SMILESCCCOC(=O)CC1C(=O)NCCN1Cc1ccc(F)cc1
InChIInChI=1S/C16H21FN2O3/c1-2-9-22-15(20)10-14-16(21)18-7-8-19(14)11-12-3-5-13(17)6-4-12/h3-6,14H,2,7-11H2,1H3,(H,18,21)
InChIKeyUTMQDGRVLPBENN-UHFFFAOYSA-N
MW308.35 g/mol
LogP1.47
Rot. Bonds6

About propyl 2-[1-[(4-fluorophenyl)methyl]-3-oxopiperazin-2-yl]acetate

propyl 2-[1-[(4-fluorophenyl)methyl]-3-oxopiperazin-2-yl]acetate (PubChem CID 4777785) has the molecular formula C16H21FN2O3 and a molecular weight of 308.35 g/mol. Its IUPAC name is propyl 2-[1-[(4-fluorophenyl)methyl]-3-oxopiperazin-2-yl]acetate.

Molecular Properties

Compound Namepropyl 2-[1-[(4-fluorophenyl)methyl]-3-oxopiperazin-2-yl]acetate
PubChem CID4777785
Molecular FormulaC16H21FN2O3
Molecular Weight308.35 g/mol
Exact Mass308.15
IUPAC Namepropyl 2-[1-[(4-fluorophenyl)methyl]-3-oxopiperazin-2-yl]acetate
SMILESCCCOC(=O)CC1C(=O)NCCN1Cc1ccc(F)cc1
InChIInChI=1S/C16H21FN2O3/c1-2-9-22-15(20)10-14-16(21)18-7-8-19(14)11-12-3-5-13(17)6-4-12/h3-6,14H,2,7-11H2,1H3,(H,18,21)
InChIKeyUTMQDGRVLPBENN-UHFFFAOYSA-N
XLogP1.47
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.35
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of propyl 2-[1-[(4-fluorophenyl)methyl]-3-oxopiperazin-2-yl]acetate?
The IUPAC name of propyl 2-[1-[(4-fluorophenyl)methyl]-3-oxopiperazin-2-yl]acetate (CID 4777785) is propyl 2-[1-[(4-fluorophenyl)methyl]-3-oxopiperazin-2-yl]acetate.
What is the SMILES notation for propyl 2-[1-[(4-fluorophenyl)methyl]-3-oxopiperazin-2-yl]acetate?
The canonical SMILES for propyl 2-[1-[(4-fluorophenyl)methyl]-3-oxopiperazin-2-yl]acetate is CCCOC(=O)CC1C(=O)NCCN1Cc1ccc(F)cc1.
What is the InChIKey of propyl 2-[1-[(4-fluorophenyl)methyl]-3-oxopiperazin-2-yl]acetate?
The InChIKey is UTMQDGRVLPBENN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN2O3/c1-2-9-22-15(20)10-14-16(21)18-7-8-19(14)11-12-3-5-13(17)6-4-12/h3-6,14H,2,7-11H2,1H3,(H,18,21).
What are the key properties of propyl 2-[1-[(4-fluorophenyl)methyl]-3-oxopiperazin-2-yl]acetate?
propyl 2-[1-[(4-fluorophenyl)methyl]-3-oxopiperazin-2-yl]acetate has a molecular weight of 308.35 g/mol, XLogP of 1.47, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 2-[1-[(4-fluorophenyl)methyl]-3-oxopiperazin-2-yl]acetate is sourced from PubChem (CID 4777785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).