tert-butyl N-[[1-(2-aminoacetyl)piperidin-3-yl]methyl]-N-methylcarbamate

C14H27N3O3 — CID 66566198

IUPACtert-butyl N-[[1-(2-aminoacetyl)piperidin-3-yl]methyl]-N-methylcarbamate
SMILESCN(CC1CCCN(C(=O)CN)C1)C(=O)OC(C)(C)C
InChIInChI=1S/C14H27N3O3/c1-14(2,3)20-13(19)16(4)9-11-6-5-7-17(10-11)12(18)8-15/h11H,5-10,15H2,1-4H3
InChIKeyBGJVREPUQRAPQJ-UHFFFAOYSA-N
MW285.39 g/mol
LogP1.05
Rot. Bonds3

About tert-butyl N-[[1-(2-aminoacetyl)piperidin-3-yl]methyl]-N-methylcarbamate

tert-butyl N-[[1-(2-aminoacetyl)piperidin-3-yl]methyl]-N-methylcarbamate (PubChem CID 66566198) has the molecular formula C14H27N3O3 and a molecular weight of 285.39 g/mol. Its IUPAC name is tert-butyl N-[[1-(2-aminoacetyl)piperidin-3-yl]methyl]-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[[1-(2-aminoacetyl)piperidin-3-yl]methyl]-N-methylcarbamate
PubChem CID66566198
Molecular FormulaC14H27N3O3
Molecular Weight285.39 g/mol
Exact Mass285.21
IUPAC Nametert-butyl N-[[1-(2-aminoacetyl)piperidin-3-yl]methyl]-N-methylcarbamate
SMILESCN(CC1CCCN(C(=O)CN)C1)C(=O)OC(C)(C)C
InChIInChI=1S/C14H27N3O3/c1-14(2,3)20-13(19)16(4)9-11-6-5-7-17(10-11)12(18)8-15/h11H,5-10,15H2,1-4H3
InChIKeyBGJVREPUQRAPQJ-UHFFFAOYSA-N
XLogP1.05
TPSA75.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[[1-(2-aminoacetyl)piperidin-3-yl]methyl]-N-cyclopropylcarbamate
CID 66566243
tert-butyl N-[[1-[(2S)-2-aminopropanoyl]piperidin-3-yl]methyl]-N-methylcarbamate
CID 66566270
(3R)-3-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]pyrrolidine-1-carboxylic acid
CID 122505076
tert-butyl N-[[(3S)-1-(2-aminoacetyl)pyrrolidin-3-yl]methyl]-N-cyclopropylcarbamate
CID 96553670
tert-butyl N-[[(3R)-1-benzoylpiperidin-3-yl]methyl]-N-methylcarbamate
CID 94806593
tert-butyl N-[[1-[(2E,4E)-hexa-2,4-dienoyl]piperidin-3-yl]methyl]-N-methylcarbamate
CID 60587549
tert-butyl N-[[(3R)-1-[2-[(3aS,4R,7R,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindol-2-yl]acetyl]piperidin-3-yl]methyl]-N-methylcarbamate
CID 124840458
tert-butyl N-[[1-[(2S)-2-aminopropanoyl]pyrrolidin-3-yl]methyl]-N-methylcarbamate
CID 66566264
tert-butyl N-[[(3R)-1-[(2S)-2-aminopropanoyl]pyrrolidin-3-yl]methyl]-N-methylcarbamate
CID 96553688
tert-butyl N-[[(3R)-1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)piperidin-3-yl]methyl]-N-methylcarbamate
CID 52754533
2-amino-1-[(3R)-3-[[cyclopropyl(methyl)amino]methyl]piperidin-1-yl]ethanone
CID 96555302
tert-butyl 4-[2-[(3R)-3-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]piperidin-1-yl]ethyl]piperazine-1-carboxylate
CID 99792256

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[1-(2-aminoacetyl)piperidin-3-yl]methyl]-N-methylcarbamate?
The IUPAC name of tert-butyl N-[[1-(2-aminoacetyl)piperidin-3-yl]methyl]-N-methylcarbamate (CID 66566198) is tert-butyl N-[[1-(2-aminoacetyl)piperidin-3-yl]methyl]-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-[[1-(2-aminoacetyl)piperidin-3-yl]methyl]-N-methylcarbamate?
The canonical SMILES for tert-butyl N-[[1-(2-aminoacetyl)piperidin-3-yl]methyl]-N-methylcarbamate is CN(CC1CCCN(C(=O)CN)C1)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[[1-(2-aminoacetyl)piperidin-3-yl]methyl]-N-methylcarbamate?
The InChIKey is BGJVREPUQRAPQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O3/c1-14(2,3)20-13(19)16(4)9-11-6-5-7-17(10-11)12(18)8-15/h11H,5-10,15H2,1-4H3.
What are the key properties of tert-butyl N-[[1-(2-aminoacetyl)piperidin-3-yl]methyl]-N-methylcarbamate?
tert-butyl N-[[1-(2-aminoacetyl)piperidin-3-yl]methyl]-N-methylcarbamate has a molecular weight of 285.39 g/mol, XLogP of 1.05, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[1-(2-aminoacetyl)piperidin-3-yl]methyl]-N-methylcarbamate is sourced from PubChem (CID 66566198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).