benzyl 2-[4-(2-aminoacetyl)piperazin-1-yl]acetate

C15H21N3O3 — CID 67570184

IUPACbenzyl 2-[4-(2-aminoacetyl)piperazin-1-yl]acetate
SMILESNCC(=O)N1CCN(CC(=O)OCc2ccccc2)CC1
InChIInChI=1S/C15H21N3O3/c16-10-14(19)18-8-6-17(7-9-18)11-15(20)21-12-13-4-2-1-3-5-13/h1-5H,6-12,16H2
InChIKeyFXZHPDALHXOJKM-UHFFFAOYSA-N
MW291.35 g/mol
LogP-0.17
Rot. Bonds5

About benzyl 2-[4-(2-aminoacetyl)piperazin-1-yl]acetate

benzyl 2-[4-(2-aminoacetyl)piperazin-1-yl]acetate (PubChem CID 67570184) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is benzyl 2-[4-(2-aminoacetyl)piperazin-1-yl]acetate.

Molecular Properties

Compound Namebenzyl 2-[4-(2-aminoacetyl)piperazin-1-yl]acetate
PubChem CID67570184
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Namebenzyl 2-[4-(2-aminoacetyl)piperazin-1-yl]acetate
SMILESNCC(=O)N1CCN(CC(=O)OCc2ccccc2)CC1
InChIInChI=1S/C15H21N3O3/c16-10-14(19)18-8-6-17(7-9-18)11-15(20)21-12-13-4-2-1-3-5-13/h1-5H,6-12,16H2
InChIKeyFXZHPDALHXOJKM-UHFFFAOYSA-N
XLogP-0.17
TPSA75.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 5-0.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

benzyl 2-[4-(2-oxo-2-phenylmethoxyethyl)-1,4-diazepan-1-yl]acetate
CID 101385594
benzyl 2-(azetidin-1-yl)acetate
CID 140980014
benzyl 2-[4-(3-hydroxy-3-methylpentanoyl)-1,4-diazepan-1-yl]acetate
CID 5016508
2-[4-(2-oxo-2-phenylmethoxyethyl)-7,10-bis(2-oxopropyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
CID 121480439
benzyl 2-[4-[[(2R)-oxiran-2-yl]methyl]piperazin-1-yl]acetate
CID 167020418
tritert-butyl 11-(2-oxo-2-phenylmethoxyethyl)-1,4,8,11-tetrazacyclotetradecane-1,4,8-tricarboxylate
CID 25179082
2-amino-1-(4-benzylpiperazin-1-yl)ethanone;2-amino-1-piperidin-1-ylethanone
CID 143109994
methyl 2-[7-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-4,10-bis(2-oxo-2-phenylmethoxyethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetate
CID 118103309
benzyl 4-[[1-(2-ethoxy-2-oxoethyl)piperidin-4-yl]methyl]piperazine-1-carboxylate
CID 176761023
benzyl 2-aminoacetate
CID 122130027
benzyl N-[1-(2-aminoacetyl)piperidin-4-yl]-N-ethylcarbamate
CID 66566688
ethyl 2-[4-benzyl-7,10-bis(2-ethoxy-2-oxoethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetate
CID 14031656

Frequently Asked Questions

What is the IUPAC name of benzyl 2-[4-(2-aminoacetyl)piperazin-1-yl]acetate?
The IUPAC name of benzyl 2-[4-(2-aminoacetyl)piperazin-1-yl]acetate (CID 67570184) is benzyl 2-[4-(2-aminoacetyl)piperazin-1-yl]acetate.
What is the SMILES notation for benzyl 2-[4-(2-aminoacetyl)piperazin-1-yl]acetate?
The canonical SMILES for benzyl 2-[4-(2-aminoacetyl)piperazin-1-yl]acetate is NCC(=O)N1CCN(CC(=O)OCc2ccccc2)CC1.
What is the InChIKey of benzyl 2-[4-(2-aminoacetyl)piperazin-1-yl]acetate?
The InChIKey is FXZHPDALHXOJKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c16-10-14(19)18-8-6-17(7-9-18)11-15(20)21-12-13-4-2-1-3-5-13/h1-5H,6-12,16H2.
What are the key properties of benzyl 2-[4-(2-aminoacetyl)piperazin-1-yl]acetate?
benzyl 2-[4-(2-aminoacetyl)piperazin-1-yl]acetate has a molecular weight of 291.35 g/mol, XLogP of -0.17, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-[4-(2-aminoacetyl)piperazin-1-yl]acetate is sourced from PubChem (CID 67570184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).