tert-butyl N-[3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]cyclobutyl]carbamate

C17H30N2O3 — CID 162753501

IUPACtert-butyl N-[3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]cyclobutyl]carbamate
SMILESCC1CCN(C(=O)CC2CC(NC(=O)OC(C)(C)C)C2)CC1
InChIInChI=1S/C17H30N2O3/c1-12-5-7-19(8-6-12)15(20)11-13-9-14(10-13)18-16(21)22-17(2,3)4/h12-14H,5-11H2,1-4H3,(H,18,21)
InChIKeyWOLWGXJODTVQPI-UHFFFAOYSA-N
MW310.44 g/mol
LogP2.94
Rot. Bonds3

About tert-butyl N-[3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]cyclobutyl]carbamate

tert-butyl N-[3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]cyclobutyl]carbamate (PubChem CID 162753501) has the molecular formula C17H30N2O3 and a molecular weight of 310.44 g/mol. Its IUPAC name is tert-butyl N-[3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]cyclobutyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]cyclobutyl]carbamate
PubChem CID162753501
Molecular FormulaC17H30N2O3
Molecular Weight310.44 g/mol
Exact Mass310.23
IUPAC Nametert-butyl N-[3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]cyclobutyl]carbamate
SMILESCC1CCN(C(=O)CC2CC(NC(=O)OC(C)(C)C)C2)CC1
InChIInChI=1S/C17H30N2O3/c1-12-5-7-19(8-6-12)15(20)11-13-9-14(10-13)18-16(21)22-17(2,3)4/h12-14H,5-11H2,1-4H3,(H,18,21)
InChIKeyWOLWGXJODTVQPI-UHFFFAOYSA-N
XLogP2.94
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]carbamate
CID 24689329
tert-butyl N-(1-butanoylpiperidin-4-yl)carbamate
CID 52622771
tert-butyl N-[1-(3-chloropropanoyl)piperidin-4-yl]carbamate
CID 124703982
tert-butyl N-[(3R,4S)-1-(2-cyclopentylacetyl)-3-methylpiperidin-4-yl]carbamate
CID 95775102
4-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]-4-oxobutanoic acid
CID 25250198
tert-butyl N-[[1-[2-(oxetan-3-yl)acetyl]piperidin-4-yl]methyl]carbamate
CID 142459312
tert-butyl N-[3-[(1-acetylpiperidin-4-yl)amino]cyclobutyl]carbamate
CID 103759512
tert-butyl N-[1-[1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]piperidin-4-yl]carbamate
CID 60513147
tert-butyl N-(1-acetylpyrrolidin-3-yl)carbamate
CID 20716164
tert-butyl N-[3-(aminomethyl)cyclobutyl]carbamate;hydrochloride
CID 126812095
4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylic acid
CID 18784768
tert-butyl N-[3-[2-(4-methylpiperidin-1-yl)ethylamino]cyclopentyl]carbamate
CID 103719839

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]cyclobutyl]carbamate?
The IUPAC name of tert-butyl N-[3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]cyclobutyl]carbamate (CID 162753501) is tert-butyl N-[3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]cyclobutyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]cyclobutyl]carbamate?
The canonical SMILES for tert-butyl N-[3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]cyclobutyl]carbamate is CC1CCN(C(=O)CC2CC(NC(=O)OC(C)(C)C)C2)CC1.
What is the InChIKey of tert-butyl N-[3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]cyclobutyl]carbamate?
The InChIKey is WOLWGXJODTVQPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O3/c1-12-5-7-19(8-6-12)15(20)11-13-9-14(10-13)18-16(21)22-17(2,3)4/h12-14H,5-11H2,1-4H3,(H,18,21).
What are the key properties of tert-butyl N-[3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]cyclobutyl]carbamate?
tert-butyl N-[3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]cyclobutyl]carbamate has a molecular weight of 310.44 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]cyclobutyl]carbamate is sourced from PubChem (CID 162753501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).