benzyl N-[1-(2-aminoacetyl)piperidin-4-yl]-N-ethylcarbamate

C17H25N3O3 — CID 66566688

IUPACbenzyl N-[1-(2-aminoacetyl)piperidin-4-yl]-N-ethylcarbamate
SMILESCCN(C(=O)OCc1ccccc1)C1CCN(C(=O)CN)CC1
InChIInChI=1S/C17H25N3O3/c1-2-20(15-8-10-19(11-9-15)16(21)12-18)17(22)23-13-14-6-4-3-5-7-14/h3-7,15H,2,8-13,18H2,1H3
InChIKeyPVMJIULOKIQMBN-UHFFFAOYSA-N
MW319.40 g/mol
LogP1.59
Rot. Bonds5

About benzyl N-[1-(2-aminoacetyl)piperidin-4-yl]-N-ethylcarbamate

benzyl N-[1-(2-aminoacetyl)piperidin-4-yl]-N-ethylcarbamate (PubChem CID 66566688) has the molecular formula C17H25N3O3 and a molecular weight of 319.40 g/mol. Its IUPAC name is benzyl N-[1-(2-aminoacetyl)piperidin-4-yl]-N-ethylcarbamate.

Molecular Properties

Compound Namebenzyl N-[1-(2-aminoacetyl)piperidin-4-yl]-N-ethylcarbamate
PubChem CID66566688
Molecular FormulaC17H25N3O3
Molecular Weight319.40 g/mol
Exact Mass319.19
IUPAC Namebenzyl N-[1-(2-aminoacetyl)piperidin-4-yl]-N-ethylcarbamate
SMILESCCN(C(=O)OCc1ccccc1)C1CCN(C(=O)CN)CC1
InChIInChI=1S/C17H25N3O3/c1-2-20(15-8-10-19(11-9-15)16(21)12-18)17(22)23-13-14-6-4-3-5-7-14/h3-7,15H,2,8-13,18H2,1H3
InChIKeyPVMJIULOKIQMBN-UHFFFAOYSA-N
XLogP1.59
TPSA75.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze benzyl N-[1-(2-aminoacetyl)piperidin-4-yl]-N-ethylcarbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

benzyl N-[1-(2-chloroacetyl)piperidin-3-yl]-N-ethylcarbamate
CID 66566616
benzyl N-[1-(2-aminoethyl)piperidin-3-yl]-N-ethylcarbamate
CID 66566566
benzyl N-[1-(2-amino-3-methylbutanoyl)pyrrolidin-3-yl]-N-ethylcarbamate
CID 77144103
benzyl N-[[(3R)-1-(2-aminoacetyl)piperidin-3-yl]methyl]-N-cyclopropylcarbamate
CID 96553991
benzyl N-[(3R)-1-[(2S)-2-aminopropanoyl]piperidin-3-yl]-N-ethylcarbamate
CID 66566756
benzyl N-[[1-(2-aminoacetyl)piperidin-3-yl]methyl]-N-ethylcarbamate
CID 66566689
benzyl N-cyclopropyl-N-propylcarbamate
CID 130159300
benzyl N-[[(2R)-1-(2-aminoacetyl)piperidin-2-yl]methyl]-N-cyclopropylcarbamate
CID 96553990
(3R)-3-[carboxymethyl(phenylmethoxycarbonyl)amino]pyrrolidine-1-carboxylic acid
CID 140554013
2-amino-1-[4-[methyl(2-phenylethyl)amino]piperidin-1-yl]ethanone;dihydrochloride
CID 23285133
benzyl N-[1-(2-chloroacetyl)piperidin-4-yl]-N-propan-2-ylcarbamate
CID 66566633
benzyl 2-[4-(2-aminoacetyl)piperazin-1-yl]acetate
CID 67570184

Frequently Asked Questions

What is the IUPAC name of benzyl N-[1-(2-aminoacetyl)piperidin-4-yl]-N-ethylcarbamate?
The IUPAC name of benzyl N-[1-(2-aminoacetyl)piperidin-4-yl]-N-ethylcarbamate (CID 66566688) is benzyl N-[1-(2-aminoacetyl)piperidin-4-yl]-N-ethylcarbamate.
What is the SMILES notation for benzyl N-[1-(2-aminoacetyl)piperidin-4-yl]-N-ethylcarbamate?
The canonical SMILES for benzyl N-[1-(2-aminoacetyl)piperidin-4-yl]-N-ethylcarbamate is CCN(C(=O)OCc1ccccc1)C1CCN(C(=O)CN)CC1.
What is the InChIKey of benzyl N-[1-(2-aminoacetyl)piperidin-4-yl]-N-ethylcarbamate?
The InChIKey is PVMJIULOKIQMBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O3/c1-2-20(15-8-10-19(11-9-15)16(21)12-18)17(22)23-13-14-6-4-3-5-7-14/h3-7,15H,2,8-13,18H2,1H3.
What are the key properties of benzyl N-[1-(2-aminoacetyl)piperidin-4-yl]-N-ethylcarbamate?
benzyl N-[1-(2-aminoacetyl)piperidin-4-yl]-N-ethylcarbamate has a molecular weight of 319.40 g/mol, XLogP of 1.59, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[1-(2-aminoacetyl)piperidin-4-yl]-N-ethylcarbamate is sourced from PubChem (CID 66566688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).