tert-butyl 3-[1-[2-(methylamino)-2-oxoethyl]piperidin-2-yl]piperidine-1-carboxylate

C18H33N3O3 — CID 122152482

IUPACtert-butyl 3-[1-[2-(methylamino)-2-oxoethyl]piperidin-2-yl]piperidine-1-carboxylate
SMILESCNC(=O)CN1CCCCC1C1CCCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C18H33N3O3/c1-18(2,3)24-17(23)21-11-7-8-14(12-21)15-9-5-6-10-20(15)13-16(22)19-4/h14-15H,5-13H2,1-4H3,(H,19,22)
InChIKeyBZJSLLJCBRVQCJ-UHFFFAOYSA-N
MW339.48 g/mol
LogP2.23
Rot. Bonds3

About tert-butyl 3-[1-[2-(methylamino)-2-oxoethyl]piperidin-2-yl]piperidine-1-carboxylate

tert-butyl 3-[1-[2-(methylamino)-2-oxoethyl]piperidin-2-yl]piperidine-1-carboxylate (PubChem CID 122152482) has the molecular formula C18H33N3O3 and a molecular weight of 339.48 g/mol. Its IUPAC name is tert-butyl 3-[1-[2-(methylamino)-2-oxoethyl]piperidin-2-yl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[1-[2-(methylamino)-2-oxoethyl]piperidin-2-yl]piperidine-1-carboxylate
PubChem CID122152482
Molecular FormulaC18H33N3O3
Molecular Weight339.48 g/mol
Exact Mass339.25
IUPAC Nametert-butyl 3-[1-[2-(methylamino)-2-oxoethyl]piperidin-2-yl]piperidine-1-carboxylate
SMILESCNC(=O)CN1CCCCC1C1CCCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C18H33N3O3/c1-18(2,3)24-17(23)21-11-7-8-14(12-21)15-9-5-6-10-20(15)13-16(22)19-4/h14-15H,5-13H2,1-4H3,(H,19,22)
InChIKeyBZJSLLJCBRVQCJ-UHFFFAOYSA-N
XLogP2.23
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.48
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Tert-butyl 2-(piperidin-3-yl)piperidine-1-carboxylate
CID 19691271
Tert-butyl 3-oxo-4-(piperidin-4-yl)piperazine-1-carboxylate
CID 23138143
Tert-butyl 4-[2-(piperidin-4-yl)ethyl]piperidine-1-carboxylate hydrochloride
CID 57421848
Tert-butyl 2,4'-bipiperidine-1'-carboxylate
CID 71305776
tert-Butyl 2-oxo-1,4,9-triazaspiro[5.5]undecane-9-carboxylate
CID 118798342
Tert-butyl 4-(3-(piperidin-4-yl)propyl)piperazine-1-carboxylate
CID 165655223
Tert-butyl 4-(3-(piperazin-1-yl)propyl)piperidine-1-carboxylate
CID 165881318
Tert-butyl 3-(2-(piperidin-4-yl)ethyl)piperidine-1-carboxylate
CID 82667702
Tert-butyl 3-[2-(piperidin-3-yl)ethyl]piperidine-1-carboxylate
CID 82667703
Tert-butyl 4-(3-(piperidin-3-yl)propyl)piperazine-1-carboxylate
CID 154828529
Tert-butyl 3-[3-(piperidin-3-yl)propyl]piperidine-1-carboxylate hydrochloride
CID 155822163
Tert-butyl 3-(3-(piperidin-4-yl)propyl)piperidine-1-carboxylate hydrochloride
CID 155822293

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[1-[2-(methylamino)-2-oxoethyl]piperidin-2-yl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 3-[1-[2-(methylamino)-2-oxoethyl]piperidin-2-yl]piperidine-1-carboxylate (CID 122152482) is tert-butyl 3-[1-[2-(methylamino)-2-oxoethyl]piperidin-2-yl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-[1-[2-(methylamino)-2-oxoethyl]piperidin-2-yl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-[1-[2-(methylamino)-2-oxoethyl]piperidin-2-yl]piperidine-1-carboxylate is CNC(=O)CN1CCCCC1C1CCCN(C(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl 3-[1-[2-(methylamino)-2-oxoethyl]piperidin-2-yl]piperidine-1-carboxylate?
The InChIKey is BZJSLLJCBRVQCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N3O3/c1-18(2,3)24-17(23)21-11-7-8-14(12-21)15-9-5-6-10-20(15)13-16(22)19-4/h14-15H,5-13H2,1-4H3,(H,19,22).
What are the key properties of tert-butyl 3-[1-[2-(methylamino)-2-oxoethyl]piperidin-2-yl]piperidine-1-carboxylate?
tert-butyl 3-[1-[2-(methylamino)-2-oxoethyl]piperidin-2-yl]piperidine-1-carboxylate has a molecular weight of 339.48 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[1-[2-(methylamino)-2-oxoethyl]piperidin-2-yl]piperidine-1-carboxylate is sourced from PubChem (CID 122152482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).