benzyl 2-[1-(2-aminopropanoyl)-2,2-dimethylpiperidin-4-yl]acetate

C19H28N2O3 — CID 67692228

IUPACbenzyl 2-[1-(2-aminopropanoyl)-2,2-dimethylpiperidin-4-yl]acetate
SMILESCC(N)C(=O)N1CCC(CC(=O)OCc2ccccc2)CC1(C)C
InChIInChI=1S/C19H28N2O3/c1-14(20)18(23)21-10-9-16(12-19(21,2)3)11-17(22)24-13-15-7-5-4-6-8-15/h4-8,14,16H,9-13,20H2,1-3H3
InChIKeyMYPCTTPNEOEBFS-UHFFFAOYSA-N
MW332.44 g/mol
LogP2.48
Rot. Bonds5

About benzyl 2-[1-(2-aminopropanoyl)-2,2-dimethylpiperidin-4-yl]acetate

benzyl 2-[1-(2-aminopropanoyl)-2,2-dimethylpiperidin-4-yl]acetate (PubChem CID 67692228) has the molecular formula C19H28N2O3 and a molecular weight of 332.44 g/mol. Its IUPAC name is benzyl 2-[1-(2-aminopropanoyl)-2,2-dimethylpiperidin-4-yl]acetate.

Molecular Properties

Compound Namebenzyl 2-[1-(2-aminopropanoyl)-2,2-dimethylpiperidin-4-yl]acetate
PubChem CID67692228
Molecular FormulaC19H28N2O3
Molecular Weight332.44 g/mol
Exact Mass332.21
IUPAC Namebenzyl 2-[1-(2-aminopropanoyl)-2,2-dimethylpiperidin-4-yl]acetate
SMILESCC(N)C(=O)N1CCC(CC(=O)OCc2ccccc2)CC1(C)C
InChIInChI=1S/C19H28N2O3/c1-14(20)18(23)21-10-9-16(12-19(21,2)3)11-17(22)24-13-15-7-5-4-6-8-15/h4-8,14,16H,9-13,20H2,1-3H3
InChIKeyMYPCTTPNEOEBFS-UHFFFAOYSA-N
XLogP2.48
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl N-[[(3S)-1-[(2S)-2-aminopropanoyl]pyrrolidin-3-yl]methyl]carbamate
CID 96553995
benzyl N-[[(3R)-1-[(2S)-2-aminopropanoyl]pyrrolidin-3-yl]methyl]carbamate
CID 96553994
benzyl 2-(4-methylcyclohexyl)acetate
CID 147419326
benzyl 4-amino-3-methylpentanoate
CID 174893438
benzyl (2S)-1-[(2S)-2-aminopropanoyl]pyrrolidine-2-carboxylate
CID 13034409
benzyl 2-(4-oxocyclohexyl)acetate
CID 58069819
tert-butyl (3R)-3-(2-oxo-2-phenylmethoxyethyl)pyrrolidine-1-carboxylate
CID 58120124
benzyl 2-[(1R,3S)-3-hydroxy-2,2-dimethylcyclopropyl]acetate
CID 11172363
benzyl 2-[(2R)-4,4-dimethyl-5-oxooxolan-2-yl]acetate
CID 154722542
benzyl N-[[(3R)-1-[(2S)-2-aminopropanoyl]pyrrolidin-3-yl]methyl]-N-propan-2-ylcarbamate
CID 96554022
benzyl N-[[1-[(2S)-2-aminopropanoyl]pyrrolidin-3-yl]methyl]-N-ethylcarbamate
CID 66566754
benzyl N-[1-(2-aminopropanoyl)pyrrolidin-3-yl]-N-propan-2-ylcarbamate
CID 77144068

Frequently Asked Questions

What is the IUPAC name of benzyl 2-[1-(2-aminopropanoyl)-2,2-dimethylpiperidin-4-yl]acetate?
The IUPAC name of benzyl 2-[1-(2-aminopropanoyl)-2,2-dimethylpiperidin-4-yl]acetate (CID 67692228) is benzyl 2-[1-(2-aminopropanoyl)-2,2-dimethylpiperidin-4-yl]acetate.
What is the SMILES notation for benzyl 2-[1-(2-aminopropanoyl)-2,2-dimethylpiperidin-4-yl]acetate?
The canonical SMILES for benzyl 2-[1-(2-aminopropanoyl)-2,2-dimethylpiperidin-4-yl]acetate is CC(N)C(=O)N1CCC(CC(=O)OCc2ccccc2)CC1(C)C.
What is the InChIKey of benzyl 2-[1-(2-aminopropanoyl)-2,2-dimethylpiperidin-4-yl]acetate?
The InChIKey is MYPCTTPNEOEBFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O3/c1-14(20)18(23)21-10-9-16(12-19(21,2)3)11-17(22)24-13-15-7-5-4-6-8-15/h4-8,14,16H,9-13,20H2,1-3H3.
What are the key properties of benzyl 2-[1-(2-aminopropanoyl)-2,2-dimethylpiperidin-4-yl]acetate?
benzyl 2-[1-(2-aminopropanoyl)-2,2-dimethylpiperidin-4-yl]acetate has a molecular weight of 332.44 g/mol, XLogP of 2.48, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-[1-(2-aminopropanoyl)-2,2-dimethylpiperidin-4-yl]acetate is sourced from PubChem (CID 67692228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).