benzyl N-[[1-(2-aminoacetyl)piperidin-3-yl]methyl]-N-ethylcarbamate

C18H27N3O3 — CID 66566689

IUPACbenzyl N-[[1-(2-aminoacetyl)piperidin-3-yl]methyl]-N-ethylcarbamate
SMILESCCN(CC1CCCN(C(=O)CN)C1)C(=O)OCc1ccccc1
InChIInChI=1S/C18H27N3O3/c1-2-20(18(23)24-14-15-7-4-3-5-8-15)12-16-9-6-10-21(13-16)17(22)11-19/h3-5,7-8,16H,2,6,9-14,19H2,1H3
InChIKeyUJQAAODWTBUNJN-UHFFFAOYSA-N
MW333.43 g/mol
LogP1.84
Rot. Bonds6

About benzyl N-[[1-(2-aminoacetyl)piperidin-3-yl]methyl]-N-ethylcarbamate

benzyl N-[[1-(2-aminoacetyl)piperidin-3-yl]methyl]-N-ethylcarbamate (PubChem CID 66566689) has the molecular formula C18H27N3O3 and a molecular weight of 333.43 g/mol. Its IUPAC name is benzyl N-[[1-(2-aminoacetyl)piperidin-3-yl]methyl]-N-ethylcarbamate.

Molecular Properties

Compound Namebenzyl N-[[1-(2-aminoacetyl)piperidin-3-yl]methyl]-N-ethylcarbamate
PubChem CID66566689
Molecular FormulaC18H27N3O3
Molecular Weight333.43 g/mol
Exact Mass333.21
IUPAC Namebenzyl N-[[1-(2-aminoacetyl)piperidin-3-yl]methyl]-N-ethylcarbamate
SMILESCCN(CC1CCCN(C(=O)CN)C1)C(=O)OCc1ccccc1
InChIInChI=1S/C18H27N3O3/c1-2-20(18(23)24-14-15-7-4-3-5-8-15)12-16-9-6-10-21(13-16)17(22)11-19/h3-5,7-8,16H,2,6,9-14,19H2,1H3
InChIKeyUJQAAODWTBUNJN-UHFFFAOYSA-N
XLogP1.84
TPSA75.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl N-[[(3S)-1-[(2S)-2-aminopropanoyl]piperidin-3-yl]methyl]-N-ethylcarbamate
CID 96554011
benzyl N-[[(3R)-1-(2-aminoacetyl)piperidin-3-yl]methyl]-N-cyclopropylcarbamate
CID 96553991
benzyl N-[[(3S)-1-(2-aminoacetyl)piperidin-3-yl]methyl]-N-propan-2-ylcarbamate
CID 96553985
benzyl N-[[(3R)-1-(2-chloroacetyl)piperidin-3-yl]methyl]-N-methylcarbamate
CID 96553929
benzyl N-[[1-[(2S)-2-aminopropanoyl]pyrrolidin-3-yl]methyl]-N-ethylcarbamate
CID 66566754
N-[[(3S)-1-(2-aminoacetyl)piperidin-3-yl]methyl]-N-ethylacetamide
CID 96554531
benzyl N-[1-(2-aminoacetyl)piperidin-4-yl]-N-ethylcarbamate
CID 66566688
2-[4-[[ethyl(phenylmethoxycarbonyl)amino]methyl]piperidin-1-yl]acetic acid
CID 66566899
benzyl N-ethyl-N-(piperidin-3-ylmethyl)carbamate
CID 66569373
benzyl 3-[[ethyl(2-hydroxyethyl)amino]methyl]piperidine-1-carboxylate
CID 66564306
4-[[ethyl(phenylmethoxycarbonyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 138986512
benzyl 3-[[2-aminoethyl(methyl)amino]methyl]piperidine-1-carboxylate
CID 66564337

Frequently Asked Questions

What is the IUPAC name of benzyl N-[[1-(2-aminoacetyl)piperidin-3-yl]methyl]-N-ethylcarbamate?
The IUPAC name of benzyl N-[[1-(2-aminoacetyl)piperidin-3-yl]methyl]-N-ethylcarbamate (CID 66566689) is benzyl N-[[1-(2-aminoacetyl)piperidin-3-yl]methyl]-N-ethylcarbamate.
What is the SMILES notation for benzyl N-[[1-(2-aminoacetyl)piperidin-3-yl]methyl]-N-ethylcarbamate?
The canonical SMILES for benzyl N-[[1-(2-aminoacetyl)piperidin-3-yl]methyl]-N-ethylcarbamate is CCN(CC1CCCN(C(=O)CN)C1)C(=O)OCc1ccccc1.
What is the InChIKey of benzyl N-[[1-(2-aminoacetyl)piperidin-3-yl]methyl]-N-ethylcarbamate?
The InChIKey is UJQAAODWTBUNJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O3/c1-2-20(18(23)24-14-15-7-4-3-5-8-15)12-16-9-6-10-21(13-16)17(22)11-19/h3-5,7-8,16H,2,6,9-14,19H2,1H3.
What are the key properties of benzyl N-[[1-(2-aminoacetyl)piperidin-3-yl]methyl]-N-ethylcarbamate?
benzyl N-[[1-(2-aminoacetyl)piperidin-3-yl]methyl]-N-ethylcarbamate has a molecular weight of 333.43 g/mol, XLogP of 1.84, 6 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-3-yl]methyl]-N-ethylcarbamate is sourced from PubChem (CID 66566689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).