propyl 2-[1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-3-oxopiperazin-2-yl]acetate

C17H29N3O4 — CID 54819623

IUPACpropyl 2-[1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-3-oxopiperazin-2-yl]acetate
SMILESCCCOC(=O)CC1C(=O)NCCN1CC(=O)N1CCC(C)CC1
InChIInChI=1S/C17H29N3O4/c1-3-10-24-16(22)11-14-17(23)18-6-9-20(14)12-15(21)19-7-4-13(2)5-8-19/h13-14H,3-12H2,1-2H3,(H,18,23)
InChIKeyGNLYSFATWIBURM-UHFFFAOYSA-N
MW339.44 g/mol
LogP0.39
Rot. Bonds6

About propyl 2-[1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-3-oxopiperazin-2-yl]acetate

propyl 2-[1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-3-oxopiperazin-2-yl]acetate (PubChem CID 54819623) has the molecular formula C17H29N3O4 and a molecular weight of 339.44 g/mol. Its IUPAC name is propyl 2-[1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-3-oxopiperazin-2-yl]acetate.

Molecular Properties

Compound Namepropyl 2-[1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-3-oxopiperazin-2-yl]acetate
PubChem CID54819623
Molecular FormulaC17H29N3O4
Molecular Weight339.44 g/mol
Exact Mass339.22
IUPAC Namepropyl 2-[1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-3-oxopiperazin-2-yl]acetate
SMILESCCCOC(=O)CC1C(=O)NCCN1CC(=O)N1CCC(C)CC1
InChIInChI=1S/C17H29N3O4/c1-3-10-24-16(22)11-14-17(23)18-6-9-20(14)12-15(21)19-7-4-13(2)5-8-19/h13-14H,3-12H2,1-2H3,(H,18,23)
InChIKeyGNLYSFATWIBURM-UHFFFAOYSA-N
XLogP0.39
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

propyl 2-[1-[2-(heptylamino)-2-oxoethyl]-3-oxopiperazin-2-yl]acetate
CID 54819590
propyl 2-[1-[2-(3,5-dimethylanilino)-2-oxoethyl]-3-oxopiperazin-2-yl]acetate
CID 54819883
propyl 2-[1-[2-(4-fluoroanilino)-2-oxoethyl]-3-oxopiperazin-2-yl]acetate
CID 54819756
propyl 2-[(2S)-1-[(3,5-dimethoxyphenyl)methyl]-3-oxopiperazin-2-yl]acetate
CID 7248067
methyl 2-[(2R)-1-[2-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]-3-oxopiperazin-2-yl]acetate
CID 39975651
methyl 2-[(2R)-1-[2-[methyl-(4-methylcyclohexyl)amino]-2-oxoethyl]-3-oxopiperazin-2-yl]acetate
CID 29232532
propyl 2-[1-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]-3-oxopiperazin-2-yl]acetate
CID 54820041
propyl 2-[1-[2-(2,4-dichloroanilino)-2-oxoethyl]-3-oxopiperazin-2-yl]acetate
CID 54819553
propyl 2-[1-[2-(2-butoxyanilino)-2-oxoethyl]-3-oxopiperazin-2-yl]acetate
CID 54819626
propyl 2-[1-[2-(3-methoxyanilino)-2-oxoethyl]-3-oxopiperazin-2-yl]acetate
CID 54819589
tert-butyl 3-oxo-2-(2-oxo-2-propoxyethyl)piperazine-1-carboxylate
CID 3161315
butyl 2-[1-[2-(4-butoxyanilino)-2-oxoethyl]-3-oxopiperazin-2-yl]acetate
CID 54822905

Frequently Asked Questions

What is the IUPAC name of propyl 2-[1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-3-oxopiperazin-2-yl]acetate?
The IUPAC name of propyl 2-[1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-3-oxopiperazin-2-yl]acetate (CID 54819623) is propyl 2-[1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-3-oxopiperazin-2-yl]acetate.
What is the SMILES notation for propyl 2-[1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-3-oxopiperazin-2-yl]acetate?
The canonical SMILES for propyl 2-[1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-3-oxopiperazin-2-yl]acetate is CCCOC(=O)CC1C(=O)NCCN1CC(=O)N1CCC(C)CC1.
What is the InChIKey of propyl 2-[1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-3-oxopiperazin-2-yl]acetate?
The InChIKey is GNLYSFATWIBURM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O4/c1-3-10-24-16(22)11-14-17(23)18-6-9-20(14)12-15(21)19-7-4-13(2)5-8-19/h13-14H,3-12H2,1-2H3,(H,18,23).
What are the key properties of propyl 2-[1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-3-oxopiperazin-2-yl]acetate?
propyl 2-[1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-3-oxopiperazin-2-yl]acetate has a molecular weight of 339.44 g/mol, XLogP of 0.39, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 2-[1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-3-oxopiperazin-2-yl]acetate is sourced from PubChem (CID 54819623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).