tert-butyl 4-[[[2-(dimethylamino)-2-oxoethyl]amino]methyl]piperidine-1-carboxylate

C15H29N3O3 — CID 79697736

IUPACtert-butyl 4-[[[2-(dimethylamino)-2-oxoethyl]amino]methyl]piperidine-1-carboxylate
SMILESCN(C)C(=O)CNCC1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C15H29N3O3/c1-15(2,3)21-14(20)18-8-6-12(7-9-18)10-16-11-13(19)17(4)5/h12,16H,6-11H2,1-5H3
InChIKeyILZBFWNKTVKKBI-UHFFFAOYSA-N
MW299.41 g/mol
LogP1.31
Rot. Bonds4

About tert-butyl 4-[[[2-(dimethylamino)-2-oxoethyl]amino]methyl]piperidine-1-carboxylate

tert-butyl 4-[[[2-(dimethylamino)-2-oxoethyl]amino]methyl]piperidine-1-carboxylate (PubChem CID 79697736) has the molecular formula C15H29N3O3 and a molecular weight of 299.41 g/mol. Its IUPAC name is tert-butyl 4-[[[2-(dimethylamino)-2-oxoethyl]amino]methyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[[[2-(dimethylamino)-2-oxoethyl]amino]methyl]piperidine-1-carboxylate
PubChem CID79697736
Molecular FormulaC15H29N3O3
Molecular Weight299.41 g/mol
Exact Mass299.22
IUPAC Nametert-butyl 4-[[[2-(dimethylamino)-2-oxoethyl]amino]methyl]piperidine-1-carboxylate
SMILESCN(C)C(=O)CNCC1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C15H29N3O3/c1-15(2,3)21-14(20)18-8-6-12(7-9-18)10-16-11-13(19)17(4)5/h12,16H,6-11H2,1-5H3
InChIKeyILZBFWNKTVKKBI-UHFFFAOYSA-N
XLogP1.31
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.41
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 4-[[[2-(ethylamino)-2-oxoethyl]amino]methyl]piperidine-1-carboxylate
CID 79699650
tert-butyl 4-(ethylaminomethyl)piperidine-1-carboxylate
CID 53249196
tert-butyl 4-[[[2-(dimethylamino)-2-methylpropyl]amino]methyl]piperidine-1-carboxylate
CID 103730102
tert-butyl 4-[[(1-methylpyrrolidin-3-yl)methylamino]methyl]piperidine-1-carboxylate
CID 103730170
tert-butyl 4-[[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]methyl]piperidine-1-carboxylate
CID 103838891
tert-butyl 4-(propylaminomethyl)piperidine-1-carboxylate
CID 66960433
tert-butyl 4-[(prop-2-ynylamino)methyl]piperidine-1-carboxylate
CID 79699956
acetylene;tert-butyl 4-[2-[methoxy(methyl)amino]-2-oxoethyl]piperidine-1-carboxylate
CID 91021061
tert-butyl 4-[(oxolan-3-ylmethylamino)methyl]piperidine-1-carboxylate
CID 79698015
tert-butyl 4-[[2-(tert-butylamino)ethylamino]methyl]piperidine-1-carboxylate
CID 107446306
tert-butyl 4-[(pentylamino)methyl]piperidine-1-carboxylate
CID 79697806
tert-butyl 4-[[bis(dimethylamino)methylideneamino]methyl]piperidine-1-carboxylate
CID 111063022

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[[[2-(dimethylamino)-2-oxoethyl]amino]methyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[[[2-(dimethylamino)-2-oxoethyl]amino]methyl]piperidine-1-carboxylate (CID 79697736) is tert-butyl 4-[[[2-(dimethylamino)-2-oxoethyl]amino]methyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[[[2-(dimethylamino)-2-oxoethyl]amino]methyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[[[2-(dimethylamino)-2-oxoethyl]amino]methyl]piperidine-1-carboxylate is CN(C)C(=O)CNCC1CCN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl 4-[[[2-(dimethylamino)-2-oxoethyl]amino]methyl]piperidine-1-carboxylate?
The InChIKey is ILZBFWNKTVKKBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O3/c1-15(2,3)21-14(20)18-8-6-12(7-9-18)10-16-11-13(19)17(4)5/h12,16H,6-11H2,1-5H3.
What are the key properties of tert-butyl 4-[[[2-(dimethylamino)-2-oxoethyl]amino]methyl]piperidine-1-carboxylate?
tert-butyl 4-[[[2-(dimethylamino)-2-oxoethyl]amino]methyl]piperidine-1-carboxylate has a molecular weight of 299.41 g/mol, XLogP of 1.31, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[[[2-(dimethylamino)-2-oxoethyl]amino]methyl]piperidine-1-carboxylate is sourced from PubChem (CID 79697736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).