2-methylpropyl 4-[(4-carbamoyl-2-pyridinyl)oxy]piperidine-1-carboxylate

C16H23N3O4 — CID 145027304

IUPAC2-methylpropyl 4-[(4-carbamoyl-2-pyridinyl)oxy]piperidine-1-carboxylate
SMILESCC(C)COC(=O)N1CCC(Oc2cc(C(N)=O)ccn2)CC1
InChIInChI=1S/C16H23N3O4/c1-11(2)10-22-16(21)19-7-4-13(5-8-19)23-14-9-12(15(17)20)3-6-18-14/h3,6,9,11,13H,4-5,7-8,10H2,1-2H3,(H2,17,20)
InChIKeySTWCJMISRXBLLZ-UHFFFAOYSA-N
MW321.38 g/mol
LogP1.82
Rot. Bonds5

About 2-methylpropyl 4-[(4-carbamoyl-2-pyridinyl)oxy]piperidine-1-carboxylate

2-methylpropyl 4-[(4-carbamoyl-2-pyridinyl)oxy]piperidine-1-carboxylate (PubChem CID 145027304) has the molecular formula C16H23N3O4 and a molecular weight of 321.38 g/mol. Its IUPAC name is 2-methylpropyl 4-[(4-carbamoyl-2-pyridinyl)oxy]piperidine-1-carboxylate.

Molecular Properties

Compound Name2-methylpropyl 4-[(4-carbamoyl-2-pyridinyl)oxy]piperidine-1-carboxylate
PubChem CID145027304
Molecular FormulaC16H23N3O4
Molecular Weight321.38 g/mol
Exact Mass321.17
IUPAC Name2-methylpropyl 4-[(4-carbamoyl-2-pyridinyl)oxy]piperidine-1-carboxylate
SMILESCC(C)COC(=O)N1CCC(Oc2cc(C(N)=O)ccn2)CC1
InChIInChI=1S/C16H23N3O4/c1-11(2)10-22-16(21)19-7-4-13(5-8-19)23-14-9-12(15(17)20)3-6-18-14/h3,6,9,11,13H,4-5,7-8,10H2,1-2H3,(H2,17,20)
InChIKeySTWCJMISRXBLLZ-UHFFFAOYSA-N
XLogP1.82
TPSA94.75 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl 4-[[4-[(1R)-1-hydroxyethyl]-2-pyridinyl]oxy]piperidine-1-carboxylate
CID 124636303
2-methylpropyl 4-(3-fluorophenoxy)piperidine-1-carboxylate
CID 68837389
2-methylpropyl 4-(pyridine-4-carbonylamino)piperidine-1-carboxylate
CID 108562438
(2-cyclohexyloxy-4-pyridinyl)-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 110023950
tert-butyl 4-(4-carbamoyl-2-pyridinyl)piperidine-1-carboxylate
CID 175285120
2-methylpropyl 4-(6-hexylquinolin-8-yl)oxypiperidine-1-carboxylate
CID 68732155
2-methylpropyl 4-propan-2-ylpiperidine-1-carboxylate
CID 21025591
2-methylpropyl 4-(1H-indol-4-yloxy)piperidine-1-carboxylate
CID 68843107
tert-butyl 4-[[4-carbamoyl-6-(trifluoromethyl)-2-pyridinyl]oxy]piperidine-1-carboxylate
CID 86666505
2-methylpropyl 3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 121195558
2-[3-(2-methylpropoxy)pyrrolidine-1-carbonyl]pyridine-4-carboxylic acid
CID 122056069
2-methylpropyl 4-(2-amino-5-methylanilino)piperidine-1-carboxylate
CID 69132792

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl 4-[(4-carbamoyl-2-pyridinyl)oxy]piperidine-1-carboxylate?
The IUPAC name of 2-methylpropyl 4-[(4-carbamoyl-2-pyridinyl)oxy]piperidine-1-carboxylate (CID 145027304) is 2-methylpropyl 4-[(4-carbamoyl-2-pyridinyl)oxy]piperidine-1-carboxylate.
What is the SMILES notation for 2-methylpropyl 4-[(4-carbamoyl-2-pyridinyl)oxy]piperidine-1-carboxylate?
The canonical SMILES for 2-methylpropyl 4-[(4-carbamoyl-2-pyridinyl)oxy]piperidine-1-carboxylate is CC(C)COC(=O)N1CCC(Oc2cc(C(N)=O)ccn2)CC1.
What is the InChIKey of 2-methylpropyl 4-[(4-carbamoyl-2-pyridinyl)oxy]piperidine-1-carboxylate?
The InChIKey is STWCJMISRXBLLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O4/c1-11(2)10-22-16(21)19-7-4-13(5-8-19)23-14-9-12(15(17)20)3-6-18-14/h3,6,9,11,13H,4-5,7-8,10H2,1-2H3,(H2,17,20).
What are the key properties of 2-methylpropyl 4-[(4-carbamoyl-2-pyridinyl)oxy]piperidine-1-carboxylate?
2-methylpropyl 4-[(4-carbamoyl-2-pyridinyl)oxy]piperidine-1-carboxylate has a molecular weight of 321.38 g/mol, XLogP of 1.82, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl 4-[(4-carbamoyl-2-pyridinyl)oxy]piperidine-1-carboxylate is sourced from PubChem (CID 145027304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).