tert-butyl 5-acetyl-2-morpholin-4-ylpyridine-4-carboxylate

C16H22N2O4 — CID 177253416

IUPACtert-butyl 5-acetyl-2-morpholin-4-ylpyridine-4-carboxylate
SMILESCC(=O)c1cnc(N2CCOCC2)cc1C(=O)OC(C)(C)C
InChIInChI=1S/C16H22N2O4/c1-11(19)13-10-17-14(18-5-7-21-8-6-18)9-12(13)15(20)22-16(2,3)4/h9-10H,5-8H2,1-4H3
InChIKeyASPOLVLZFFWUHR-UHFFFAOYSA-N
MW306.36 g/mol
LogP2.08
Rot. Bonds3

About tert-butyl 5-acetyl-2-morpholin-4-ylpyridine-4-carboxylate

tert-butyl 5-acetyl-2-morpholin-4-ylpyridine-4-carboxylate (PubChem CID 177253416) has the molecular formula C16H22N2O4 and a molecular weight of 306.36 g/mol. Its IUPAC name is tert-butyl 5-acetyl-2-morpholin-4-ylpyridine-4-carboxylate.

Molecular Properties

Compound Nametert-butyl 5-acetyl-2-morpholin-4-ylpyridine-4-carboxylate
PubChem CID177253416
Molecular FormulaC16H22N2O4
Molecular Weight306.36 g/mol
Exact Mass306.16
IUPAC Nametert-butyl 5-acetyl-2-morpholin-4-ylpyridine-4-carboxylate
SMILESCC(=O)c1cnc(N2CCOCC2)cc1C(=O)OC(C)(C)C
InChIInChI=1S/C16H22N2O4/c1-11(19)13-10-17-14(18-5-7-21-8-6-18)9-12(13)15(20)22-16(2,3)4/h9-10H,5-8H2,1-4H3
InChIKeyASPOLVLZFFWUHR-UHFFFAOYSA-N
XLogP2.08
TPSA68.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

tert-butyl 2-morpholin-4-ylpyridine-4-carboxylate
CID 2762943
tert-butyl 6-morpholin-4-yl-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxylate
CID 132821970
1-(7-methyl-3-morpholin-4-ylisoquinolin-5-yl)ethanone
CID 171520543
tert-butyl N-[(6-morpholin-4-yl-3-pyridinyl)methyl]carbamate
CID 63787976
ethane;1-(6-morpholin-4-yl-3-pyridinyl)ethanone
CID 145421407
1-(5-methyl-2-morpholin-4-ylphenyl)ethanone
CID 117312505
tert-butyl N-[3-[(2-morpholin-4-yl-4-pyridinyl)methylamino]-3-oxopropyl]carbamate
CID 32586659
tert-butyl 3-amino-4-morpholin-4-ylbenzoate
CID 118548695
1-(4-morpholin-4-yl-3-pyridinyl)ethanone
CID 83882794
3-(4-acetyl-5-methylfuran-2-yl)-N-(6-morpholin-4-yl-3-pyridinyl)propanamide
CID 34442879
5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(6-morpholin-4-yl-3-pyridinyl)-1,3-thiazole-4-carboxylic acid
CID 123571753
S-[1-(6-morpholin-4-ylpyrimidin-4-yl)-5-oxopyrrolidin-3-yl] ethanethioate
CID 168707139

Frequently Asked Questions

What is the IUPAC name of tert-butyl 5-acetyl-2-morpholin-4-ylpyridine-4-carboxylate?
The IUPAC name of tert-butyl 5-acetyl-2-morpholin-4-ylpyridine-4-carboxylate (CID 177253416) is tert-butyl 5-acetyl-2-morpholin-4-ylpyridine-4-carboxylate.
What is the SMILES notation for tert-butyl 5-acetyl-2-morpholin-4-ylpyridine-4-carboxylate?
The canonical SMILES for tert-butyl 5-acetyl-2-morpholin-4-ylpyridine-4-carboxylate is CC(=O)c1cnc(N2CCOCC2)cc1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 5-acetyl-2-morpholin-4-ylpyridine-4-carboxylate?
The InChIKey is ASPOLVLZFFWUHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O4/c1-11(19)13-10-17-14(18-5-7-21-8-6-18)9-12(13)15(20)22-16(2,3)4/h9-10H,5-8H2,1-4H3.
What are the key properties of tert-butyl 5-acetyl-2-morpholin-4-ylpyridine-4-carboxylate?
tert-butyl 5-acetyl-2-morpholin-4-ylpyridine-4-carboxylate has a molecular weight of 306.36 g/mol, XLogP of 2.08, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 5-acetyl-2-morpholin-4-ylpyridine-4-carboxylate is sourced from PubChem (CID 177253416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).