tert-butyl 4-[(2-pyridin-3-yloxyacetyl)amino]piperidine-1-carboxylate

C17H25N3O4 — CID 69321662

IUPACtert-butyl 4-[(2-pyridin-3-yloxyacetyl)amino]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(NC(=O)COc2cccnc2)CC1
InChIInChI=1S/C17H25N3O4/c1-17(2,3)24-16(22)20-9-6-13(7-10-20)19-15(21)12-23-14-5-4-8-18-11-14/h4-5,8,11,13H,6-7,9-10,12H2,1-3H3,(H,19,21)
InChIKeyNYQIMTFOMUQNSE-UHFFFAOYSA-N
MW335.40 g/mol
LogP1.98
Rot. Bonds4

About tert-butyl 4-[(2-pyridin-3-yloxyacetyl)amino]piperidine-1-carboxylate

tert-butyl 4-[(2-pyridin-3-yloxyacetyl)amino]piperidine-1-carboxylate (PubChem CID 69321662) has the molecular formula C17H25N3O4 and a molecular weight of 335.40 g/mol. Its IUPAC name is tert-butyl 4-[(2-pyridin-3-yloxyacetyl)amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[(2-pyridin-3-yloxyacetyl)amino]piperidine-1-carboxylate
PubChem CID69321662
Molecular FormulaC17H25N3O4
Molecular Weight335.40 g/mol
Exact Mass335.18
IUPAC Nametert-butyl 4-[(2-pyridin-3-yloxyacetyl)amino]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(NC(=O)COc2cccnc2)CC1
InChIInChI=1S/C17H25N3O4/c1-17(2,3)24-16(22)20-9-6-13(7-10-20)19-15(21)12-23-14-5-4-8-18-11-14/h4-5,8,11,13H,6-7,9-10,12H2,1-3H3,(H,19,21)
InChIKeyNYQIMTFOMUQNSE-UHFFFAOYSA-N
XLogP1.98
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.40
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl (3R)-3-[(2-phenoxyacetyl)amino]pyrrolidine-1-carboxylate
CID 96510561
tert-butyl 4-[[2-(2,6-dimethylphenoxy)acetyl]amino]piperidine-1-carboxylate
CID 55986374
tert-butyl 4-(pyridin-3-ylmethylamino)piperidine-1-carboxylate
CID 2761049
tert-butyl 4-[[(1S)-1-pyridin-3-ylethyl]amino]azepane-1-carboxylate
CID 103982627
tert-butyl 3-(pyridin-3-ylmethylamino)pyrrolidine-1-carboxylate
CID 71629688
tert-butyl 4-[[2-(2-methoxyethoxy)pyridine-3-carbonyl]amino]piperidine-1-carboxylate
CID 47072487
tert-butyl (3S)-3-(2-pyridin-3-ylethylcarbamoylamino)pyrrolidine-1-carboxylate
CID 96516606
tert-butyl 4-(3,3-diphenylpropanoylamino)piperidine-1-carboxylate
CID 52731291
tert-butyl 4-(pyrimidin-2-ylamino)piperidine-1-carboxylate
CID 2763949
tert-butyl 4-pyridin-2-ylpiperidine-1-carboxylate
CID 11108143
tert-butyl 3-[[N-ethyl-N'-(2-pyridin-3-yloxyethyl)carbamimidoyl]amino]azetidine-1-carboxylate;hydroiodide
CID 109467467
ethyl 4-[[2-(3-ethoxyphenoxy)acetyl]amino]piperidine-1-carboxylate
CID 112977740

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[(2-pyridin-3-yloxyacetyl)amino]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[(2-pyridin-3-yloxyacetyl)amino]piperidine-1-carboxylate (CID 69321662) is tert-butyl 4-[(2-pyridin-3-yloxyacetyl)amino]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[(2-pyridin-3-yloxyacetyl)amino]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[(2-pyridin-3-yloxyacetyl)amino]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(NC(=O)COc2cccnc2)CC1.
What is the InChIKey of tert-butyl 4-[(2-pyridin-3-yloxyacetyl)amino]piperidine-1-carboxylate?
The InChIKey is NYQIMTFOMUQNSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O4/c1-17(2,3)24-16(22)20-9-6-13(7-10-20)19-15(21)12-23-14-5-4-8-18-11-14/h4-5,8,11,13H,6-7,9-10,12H2,1-3H3,(H,19,21).
What are the key properties of tert-butyl 4-[(2-pyridin-3-yloxyacetyl)amino]piperidine-1-carboxylate?
tert-butyl 4-[(2-pyridin-3-yloxyacetyl)amino]piperidine-1-carboxylate has a molecular weight of 335.40 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[(2-pyridin-3-yloxyacetyl)amino]piperidine-1-carboxylate is sourced from PubChem (CID 69321662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).