tert-butyl N-[2-[1-(2-methoxy-2-methylpropanoyl)piperidin-3-yl]ethyl]carbamate

C17H32N2O4 — CID 119051444

IUPACtert-butyl N-[2-[1-(2-methoxy-2-methylpropanoyl)piperidin-3-yl]ethyl]carbamate
SMILESCOC(C)(C)C(=O)N1CCCC(CCNC(=O)OC(C)(C)C)C1
InChIInChI=1S/C17H32N2O4/c1-16(2,3)23-15(21)18-10-9-13-8-7-11-19(12-13)14(20)17(4,5)22-6/h13H,7-12H2,1-6H3,(H,18,21)
InChIKeyLSSGQXHVQXHDMR-UHFFFAOYSA-N
MW328.45 g/mol
LogP2.56
Rot. Bonds5

About tert-butyl N-[2-[1-(2-methoxy-2-methylpropanoyl)piperidin-3-yl]ethyl]carbamate

tert-butyl N-[2-[1-(2-methoxy-2-methylpropanoyl)piperidin-3-yl]ethyl]carbamate (PubChem CID 119051444) has the molecular formula C17H32N2O4 and a molecular weight of 328.45 g/mol. Its IUPAC name is tert-butyl N-[2-[1-(2-methoxy-2-methylpropanoyl)piperidin-3-yl]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[1-(2-methoxy-2-methylpropanoyl)piperidin-3-yl]ethyl]carbamate
PubChem CID119051444
Molecular FormulaC17H32N2O4
Molecular Weight328.45 g/mol
Exact Mass328.24
IUPAC Nametert-butyl N-[2-[1-(2-methoxy-2-methylpropanoyl)piperidin-3-yl]ethyl]carbamate
SMILESCOC(C)(C)C(=O)N1CCCC(CCNC(=O)OC(C)(C)C)C1
InChIInChI=1S/C17H32N2O4/c1-16(2,3)23-15(21)18-10-9-13-8-7-11-19(12-13)14(20)17(4,5)22-6/h13H,7-12H2,1-6H3,(H,18,21)
InChIKeyLSSGQXHVQXHDMR-UHFFFAOYSA-N
XLogP2.56
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.45
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]piperidine-1-carboxylate
CID 141463922
tert-butyl (3R)-3-[2-(cyclopropylamino)ethyl]piperidine-1-carboxylate
CID 97172112
tert-butyl (3R)-3-[2-[[(1S,5S)-bicyclo[3.1.0]hexane-6-carbonyl]amino]ethyl]piperidine-1-carboxylate
CID 98214480
tert-butyl (3S)-3-[2-[(1-cyanocyclopentanecarbonyl)amino]ethyl]piperidine-1-carboxylate
CID 95314843
1-[(3R)-3-aminopyrrolidin-1-yl]-2-methoxy-2-methylpropan-1-one
CID 103021611
tert-butyl N-[2-[1-(2-aminophenyl)piperidin-3-yl]ethyl]carbamate
CID 89272020
N-(2-cyclobutylethyl)-2-methoxy-2-methylpropanamide
CID 103747323
tert-butyl N-[2-(1-butanoylpiperidin-4-yl)ethyl]carbamate
CID 177056107
tert-butyl 3-[2-[(N'-propylcarbamimidoyl)amino]ethyl]piperidine-1-carboxylate;hydroiodide
CID 111806393
tert-butyl 3-[2-[(2-methylcyclopentyl)amino]ethyl]piperidine-1-carboxylate
CID 103748321
tert-butyl 3-[2-(oxan-4-ylmethylamino)ethyl]piperidine-1-carboxylate
CID 103745414
tert-butyl 3-[2-(5,5-dimethylhexan-2-ylamino)ethyl]piperidine-1-carboxylate
CID 114279953

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[1-(2-methoxy-2-methylpropanoyl)piperidin-3-yl]ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[1-(2-methoxy-2-methylpropanoyl)piperidin-3-yl]ethyl]carbamate (CID 119051444) is tert-butyl N-[2-[1-(2-methoxy-2-methylpropanoyl)piperidin-3-yl]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[1-(2-methoxy-2-methylpropanoyl)piperidin-3-yl]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[1-(2-methoxy-2-methylpropanoyl)piperidin-3-yl]ethyl]carbamate is COC(C)(C)C(=O)N1CCCC(CCNC(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl N-[2-[1-(2-methoxy-2-methylpropanoyl)piperidin-3-yl]ethyl]carbamate?
The InChIKey is LSSGQXHVQXHDMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O4/c1-16(2,3)23-15(21)18-10-9-13-8-7-11-19(12-13)14(20)17(4,5)22-6/h13H,7-12H2,1-6H3,(H,18,21).
What are the key properties of tert-butyl N-[2-[1-(2-methoxy-2-methylpropanoyl)piperidin-3-yl]ethyl]carbamate?
tert-butyl N-[2-[1-(2-methoxy-2-methylpropanoyl)piperidin-3-yl]ethyl]carbamate has a molecular weight of 328.45 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[1-(2-methoxy-2-methylpropanoyl)piperidin-3-yl]ethyl]carbamate is sourced from PubChem (CID 119051444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).