tert-butyl N-[2-oxo-2-(4-pyridin-2-yloxypiperidin-1-yl)ethyl]-N-pyridin-2-ylcarbamate

C22H28N4O4 — CID 22499456

IUPACtert-butyl N-[2-oxo-2-(4-pyridin-2-yloxypiperidin-1-yl)ethyl]-N-pyridin-2-ylcarbamate
SMILESCC(C)(C)OC(=O)N(CC(=O)N1CCC(Oc2ccccn2)CC1)c1ccccn1
InChIInChI=1S/C22H28N4O4/c1-22(2,3)30-21(28)26(18-8-4-6-12-23-18)16-20(27)25-14-10-17(11-15-25)29-19-9-5-7-13-24-19/h4-9,12-13,17H,10-11,14-16H2,1-3H3
InChIKeyWIBJRANHEKOUNF-UHFFFAOYSA-N
MW412.49 g/mol
LogP3.29
Rot. Bonds5

About tert-butyl N-[2-oxo-2-(4-pyridin-2-yloxypiperidin-1-yl)ethyl]-N-pyridin-2-ylcarbamate

tert-butyl N-[2-oxo-2-(4-pyridin-2-yloxypiperidin-1-yl)ethyl]-N-pyridin-2-ylcarbamate (PubChem CID 22499456) has the molecular formula C22H28N4O4 and a molecular weight of 412.49 g/mol. Its IUPAC name is tert-butyl N-[2-oxo-2-(4-pyridin-2-yloxypiperidin-1-yl)ethyl]-N-pyridin-2-ylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[2-oxo-2-(4-pyridin-2-yloxypiperidin-1-yl)ethyl]-N-pyridin-2-ylcarbamate
PubChem CID22499456
Molecular FormulaC22H28N4O4
Molecular Weight412.49 g/mol
Exact Mass412.21
IUPAC Nametert-butyl N-[2-oxo-2-(4-pyridin-2-yloxypiperidin-1-yl)ethyl]-N-pyridin-2-ylcarbamate
SMILESCC(C)(C)OC(=O)N(CC(=O)N1CCC(Oc2ccccn2)CC1)c1ccccn1
InChIInChI=1S/C22H28N4O4/c1-22(2,3)30-21(28)26(18-8-4-6-12-23-18)16-20(27)25-14-10-17(11-15-25)29-19-9-5-7-13-24-19/h4-9,12-13,17H,10-11,14-16H2,1-3H3
InChIKeyWIBJRANHEKOUNF-UHFFFAOYSA-N
XLogP3.29
TPSA84.86 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.49
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

tert-butyl N-[2-[4-[(6-methyl-2-pyridinyl)oxy]piperidin-1-yl]-2-oxoethyl]-N-phenylcarbamate
CID 22499501
1-(4-pyridin-2-yloxypiperidin-1-yl)ethanone
CID 71798593
2-ethoxy-1-(4-pyridin-2-yloxypiperidin-1-yl)ethanone
CID 71798598
2-phenyl-1-(4-pyridin-2-yloxypiperidin-1-yl)ethanone
CID 71798620
tert-butyl (3R)-3-pyridin-2-yloxypiperidine-1-carboxylate
CID 71630688
tert-butyl N-(2-aminoethyl)-N-pyridin-2-ylcarbamate
CID 83717032
3,3,3-trifluoro-1-[(3R)-3-pyridin-2-yloxypyrrolidin-1-yl]propan-1-one
CID 129417057
tert-butyl N-[2-oxo-2-[4-(pyridin-3-ylamino)piperidin-1-yl]ethyl]-N-phenylcarbamate
CID 22499476
(4-tert-butylphenyl)-[(3S)-3-pyridin-2-yloxypyrrolidin-1-yl]methanone
CID 129417459
(4S)-1-methyl-4-(4-pyridin-2-yloxypiperidine-1-carbonyl)pyrrolidin-2-one
CID 97104979
tert-butyl N-(5-oxohexyl)-N-pyridin-2-ylcarbamate
CID 123588396
2-phenoxy-1-(4-pyridin-2-yloxypiperidin-1-yl)propan-1-one
CID 71798614

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-oxo-2-(4-pyridin-2-yloxypiperidin-1-yl)ethyl]-N-pyridin-2-ylcarbamate?
The IUPAC name of tert-butyl N-[2-oxo-2-(4-pyridin-2-yloxypiperidin-1-yl)ethyl]-N-pyridin-2-ylcarbamate (CID 22499456) is tert-butyl N-[2-oxo-2-(4-pyridin-2-yloxypiperidin-1-yl)ethyl]-N-pyridin-2-ylcarbamate.
What is the SMILES notation for tert-butyl N-[2-oxo-2-(4-pyridin-2-yloxypiperidin-1-yl)ethyl]-N-pyridin-2-ylcarbamate?
The canonical SMILES for tert-butyl N-[2-oxo-2-(4-pyridin-2-yloxypiperidin-1-yl)ethyl]-N-pyridin-2-ylcarbamate is CC(C)(C)OC(=O)N(CC(=O)N1CCC(Oc2ccccn2)CC1)c1ccccn1.
What is the InChIKey of tert-butyl N-[2-oxo-2-(4-pyridin-2-yloxypiperidin-1-yl)ethyl]-N-pyridin-2-ylcarbamate?
The InChIKey is WIBJRANHEKOUNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O4/c1-22(2,3)30-21(28)26(18-8-4-6-12-23-18)16-20(27)25-14-10-17(11-15-25)29-19-9-5-7-13-24-19/h4-9,12-13,17H,10-11,14-16H2,1-3H3.
What are the key properties of tert-butyl N-[2-oxo-2-(4-pyridin-2-yloxypiperidin-1-yl)ethyl]-N-pyridin-2-ylcarbamate?
tert-butyl N-[2-oxo-2-(4-pyridin-2-yloxypiperidin-1-yl)ethyl]-N-pyridin-2-ylcarbamate has a molecular weight of 412.49 g/mol, XLogP of 3.29, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-oxo-2-(4-pyridin-2-yloxypiperidin-1-yl)ethyl]-N-pyridin-2-ylcarbamate is sourced from PubChem (CID 22499456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).