tert-butyl (3S)-3-[(2-methoxy-2-oxoethyl)amino]-5-methylpiperidine-1-carboxylate

C14H26N2O4 — CID 146609548

IUPACtert-butyl (3S)-3-[(2-methoxy-2-oxoethyl)amino]-5-methylpiperidine-1-carboxylate
SMILESCOC(=O)CN[C@H]1CC(C)CN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C14H26N2O4/c1-10-6-11(15-7-12(17)19-5)9-16(8-10)13(18)20-14(2,3)4/h10-11,15H,6-9H2,1-5H3/t10?,11-/m0/s1
InChIKeyUPNOWRUQUPUOBS-DTIOYNMSSA-N
MW286.37 g/mol
LogP1.39
Rot. Bonds3

About tert-butyl (3S)-3-[(2-methoxy-2-oxoethyl)amino]-5-methylpiperidine-1-carboxylate

tert-butyl (3S)-3-[(2-methoxy-2-oxoethyl)amino]-5-methylpiperidine-1-carboxylate (PubChem CID 146609548) has the molecular formula C14H26N2O4 and a molecular weight of 286.37 g/mol. Its IUPAC name is tert-butyl (3S)-3-[(2-methoxy-2-oxoethyl)amino]-5-methylpiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (3S)-3-[(2-methoxy-2-oxoethyl)amino]-5-methylpiperidine-1-carboxylate
PubChem CID146609548
Molecular FormulaC14H26N2O4
Molecular Weight286.37 g/mol
Exact Mass286.19
IUPAC Nametert-butyl (3S)-3-[(2-methoxy-2-oxoethyl)amino]-5-methylpiperidine-1-carboxylate
SMILESCOC(=O)CN[C@H]1CC(C)CN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C14H26N2O4/c1-10-6-11(15-7-12(17)19-5)9-16(8-10)13(18)20-14(2,3)4/h10-11,15H,6-9H2,1-5H3/t10?,11-/m0/s1
InChIKeyUPNOWRUQUPUOBS-DTIOYNMSSA-N
XLogP1.39
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl 3-methyl-5-(propylamino)piperidine-1-carboxylate
CID 83990962
tert-butyl 3-(cyclopropylmethylamino)-5-methylpiperidine-1-carboxylate
CID 83996404
tert-butyl 3-[(2-ethoxy-2-oxoethyl)amino]azetidine-1-carboxylate
CID 63303097
tert-butyl 2-[(3-methylcyclopentyl)amino]acetate
CID 58369136
tert-butyl (3S,5R)-3-methyl-5-(2,2,2-trichloroethoxycarbonylamino)piperidine-1-carboxylate
CID 143793103
tert-butyl (3R,5S)-3-(hydroxymethyl)-5-methylpiperidine-1-carboxylate
CID 118006982
tert-butyl 3-[(3-methylcyclobutyl)amino]pyrrolidine-1-carboxylate
CID 115735709
tert-butyl (3R,5S)-3-amino-5-methylpiperidine-1-carboxylate
CID 67986310
tert-butyl (3S,5R)-3-amino-5-methylpiperidine-1-carboxylate
CID 118796258
tert-butyl (3R,5S)-3-acetyl-5-methylpiperidine-1-carboxylate
CID 178195276
tert-butyl 3-(2-acetamidoethylamino)azetidine-1-carboxylate
CID 63302878
tert-butyl 2-[(1,5-dimethylpyrrolidin-3-yl)amino]acetate
CID 81467364

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3S)-3-[(2-methoxy-2-oxoethyl)amino]-5-methylpiperidine-1-carboxylate?
The IUPAC name of tert-butyl (3S)-3-[(2-methoxy-2-oxoethyl)amino]-5-methylpiperidine-1-carboxylate (CID 146609548) is tert-butyl (3S)-3-[(2-methoxy-2-oxoethyl)amino]-5-methylpiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (3S)-3-[(2-methoxy-2-oxoethyl)amino]-5-methylpiperidine-1-carboxylate?
The canonical SMILES for tert-butyl (3S)-3-[(2-methoxy-2-oxoethyl)amino]-5-methylpiperidine-1-carboxylate is COC(=O)CN[C@H]1CC(C)CN(C(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl (3S)-3-[(2-methoxy-2-oxoethyl)amino]-5-methylpiperidine-1-carboxylate?
The InChIKey is UPNOWRUQUPUOBS-DTIOYNMSSA-N. The full InChI is InChI=1S/C14H26N2O4/c1-10-6-11(15-7-12(17)19-5)9-16(8-10)13(18)20-14(2,3)4/h10-11,15H,6-9H2,1-5H3/t10?,11-/m0/s1.
What are the key properties of tert-butyl (3S)-3-[(2-methoxy-2-oxoethyl)amino]-5-methylpiperidine-1-carboxylate?
tert-butyl (3S)-3-[(2-methoxy-2-oxoethyl)amino]-5-methylpiperidine-1-carboxylate has a molecular weight of 286.37 g/mol, XLogP of 1.39, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3S)-3-[(2-methoxy-2-oxoethyl)amino]-5-methylpiperidine-1-carboxylate is sourced from PubChem (CID 146609548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).