tert-butyl N-[1-(2-amino-2-oxoethyl)-5-(2,2-dimethylpropyl)piperidin-3-yl]carbamate

C17H33N3O3 — CID 112544828

IUPACtert-butyl N-[1-(2-amino-2-oxoethyl)-5-(2,2-dimethylpropyl)piperidin-3-yl]carbamate
SMILESCC(C)(C)CC1CC(NC(=O)OC(C)(C)C)CN(CC(N)=O)C1
InChIInChI=1S/C17H33N3O3/c1-16(2,3)8-12-7-13(10-20(9-12)11-14(18)21)19-15(22)23-17(4,5)6/h12-13H,7-11H2,1-6H3,(H2,18,21)(H,19,22)
InChIKeyPBMCXNKXWYIIMU-UHFFFAOYSA-N
MW327.47 g/mol
LogP2.12
Rot. Bonds4

About tert-butyl N-[1-(2-amino-2-oxoethyl)-5-(2,2-dimethylpropyl)piperidin-3-yl]carbamate

tert-butyl N-[1-(2-amino-2-oxoethyl)-5-(2,2-dimethylpropyl)piperidin-3-yl]carbamate (PubChem CID 112544828) has the molecular formula C17H33N3O3 and a molecular weight of 327.47 g/mol. Its IUPAC name is tert-butyl N-[1-(2-amino-2-oxoethyl)-5-(2,2-dimethylpropyl)piperidin-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-(2-amino-2-oxoethyl)-5-(2,2-dimethylpropyl)piperidin-3-yl]carbamate
PubChem CID112544828
Molecular FormulaC17H33N3O3
Molecular Weight327.47 g/mol
Exact Mass327.25
IUPAC Nametert-butyl N-[1-(2-amino-2-oxoethyl)-5-(2,2-dimethylpropyl)piperidin-3-yl]carbamate
SMILESCC(C)(C)CC1CC(NC(=O)OC(C)(C)C)CN(CC(N)=O)C1
InChIInChI=1S/C17H33N3O3/c1-16(2,3)8-12-7-13(10-20(9-12)11-14(18)21)19-15(22)23-17(4,5)6/h12-13H,7-11H2,1-6H3,(H2,18,21)(H,19,22)
InChIKeyPBMCXNKXWYIIMU-UHFFFAOYSA-N
XLogP2.12
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.47
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[1-(2-amino-2-oxoethyl)-5-(2-hydroxybutyl)piperidin-3-yl]carbamate
CID 112544838
tert-butyl N-[1-(2-amino-2-oxoethyl)-5-(1-hydroxypropyl)piperidin-3-yl]carbamate
CID 112544837
2-[1-(carboxymethyl)-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-3-yl]acetic acid
CID 112544777
methyl N-[1-(2-aminoethyl)-5-(2,2-dimethylpropyl)piperidin-3-yl]carbamate
CID 112543587
2-[1-(2-amino-2-oxoethyl)-5-(methoxycarbonylamino)piperidin-3-yl]acetic acid
CID 112543553
tert-butyl N-[1-butan-2-yl-5-(2,2-dimethylpropyl)piperidin-3-yl]carbamate
CID 112544588
ethyl N-[1-(2-amino-2-oxoethyl)-5-ethylpiperidin-3-yl]carbamate
CID 112544185
2-[5-[(2-methylpropan-2-yl)oxycarbonylamino]-1-propylpiperidin-3-yl]acetic acid
CID 112544339
3-[3-ethyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]propanoic acid
CID 112544755
methyl 3-[3-ethyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]propanoate
CID 112544764
tert-butyl N-[1-(cyclobutylmethyl)-5-propylpiperidin-3-yl]carbamate
CID 112544734
tert-butyl N-[3-(aminomethyl)cyclobutyl]carbamate;hydrochloride
CID 126812095

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-(2-amino-2-oxoethyl)-5-(2,2-dimethylpropyl)piperidin-3-yl]carbamate?
The IUPAC name of tert-butyl N-[1-(2-amino-2-oxoethyl)-5-(2,2-dimethylpropyl)piperidin-3-yl]carbamate (CID 112544828) is tert-butyl N-[1-(2-amino-2-oxoethyl)-5-(2,2-dimethylpropyl)piperidin-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-(2-amino-2-oxoethyl)-5-(2,2-dimethylpropyl)piperidin-3-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-(2-amino-2-oxoethyl)-5-(2,2-dimethylpropyl)piperidin-3-yl]carbamate is CC(C)(C)CC1CC(NC(=O)OC(C)(C)C)CN(CC(N)=O)C1.
What is the InChIKey of tert-butyl N-[1-(2-amino-2-oxoethyl)-5-(2,2-dimethylpropyl)piperidin-3-yl]carbamate?
The InChIKey is PBMCXNKXWYIIMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3O3/c1-16(2,3)8-12-7-13(10-20(9-12)11-14(18)21)19-15(22)23-17(4,5)6/h12-13H,7-11H2,1-6H3,(H2,18,21)(H,19,22).
What are the key properties of tert-butyl N-[1-(2-amino-2-oxoethyl)-5-(2,2-dimethylpropyl)piperidin-3-yl]carbamate?
tert-butyl N-[1-(2-amino-2-oxoethyl)-5-(2,2-dimethylpropyl)piperidin-3-yl]carbamate has a molecular weight of 327.47 g/mol, XLogP of 2.12, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-(2-amino-2-oxoethyl)-5-(2,2-dimethylpropyl)piperidin-3-yl]carbamate is sourced from PubChem (CID 112544828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).