tert-butyl 3-(5-methylpyridine-3-carbonyl)morpholine-4-carboxylate

C16H22N2O4 — CID 103553981

IUPACtert-butyl 3-(5-methylpyridine-3-carbonyl)morpholine-4-carboxylate
SMILESCc1cncc(C(=O)C2COCCN2C(=O)OC(C)(C)C)c1
InChIInChI=1S/C16H22N2O4/c1-11-7-12(9-17-8-11)14(19)13-10-21-6-5-18(13)15(20)22-16(2,3)4/h7-9,13H,5-6,10H2,1-4H3
InChIKeyRECYQKFXINONBV-UHFFFAOYSA-N
MW306.36 g/mol
LogP2.21
Rot. Bonds2

About tert-butyl 3-(5-methylpyridine-3-carbonyl)morpholine-4-carboxylate

tert-butyl 3-(5-methylpyridine-3-carbonyl)morpholine-4-carboxylate (PubChem CID 103553981) has the molecular formula C16H22N2O4 and a molecular weight of 306.36 g/mol. Its IUPAC name is tert-butyl 3-(5-methylpyridine-3-carbonyl)morpholine-4-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-(5-methylpyridine-3-carbonyl)morpholine-4-carboxylate
PubChem CID103553981
Molecular FormulaC16H22N2O4
Molecular Weight306.36 g/mol
Exact Mass306.16
IUPAC Nametert-butyl 3-(5-methylpyridine-3-carbonyl)morpholine-4-carboxylate
SMILESCc1cncc(C(=O)C2COCCN2C(=O)OC(C)(C)C)c1
InChIInChI=1S/C16H22N2O4/c1-11-7-12(9-17-8-11)14(19)13-10-21-6-5-18(13)15(20)22-16(2,3)4/h7-9,13H,5-6,10H2,1-4H3
InChIKeyRECYQKFXINONBV-UHFFFAOYSA-N
XLogP2.21
TPSA68.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl 3-(3,5-difluorobenzoyl)morpholine-4-carboxylate
CID 103553945
tert-butyl 3-(pyrazine-2-carbonyl)morpholine-4-carboxylate
CID 103554099
tert-butyl 3-(2,5-difluoropyridine-4-carbonyl)morpholine-4-carboxylate
CID 146014037
tert-butyl 3-(4-fluoro-2-methylbenzoyl)morpholine-4-carboxylate
CID 103554020
tert-butyl 3-(2,2-dimethylpropanoyl)morpholine-4-carboxylate
CID 103553976
tert-butyl 3-(2-ethylpyrazole-3-carbonyl)morpholine-4-carboxylate
CID 103554047
tert-butyl 3-(1-propylimidazole-2-carbonyl)morpholine-4-carboxylate
CID 103554048
tert-butyl 3-(2-cyanoacetyl)morpholine-4-carboxylate
CID 76668092
tert-butyl 3-[2-(4-methylphenyl)-2-oxoethyl]morpholine-4-carboxylate
CID 104855099
tert-butyl 3-[methoxy(methyl)carbamoyl]morpholine-4-carboxylate
CID 22309118
tert-butyl (3S)-3-ethylmorpholine-4-carboxylate
CID 135215862
tert-butyl 3-[2-(furan-3-yl)acetyl]morpholine-4-carboxylate
CID 103554111

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(5-methylpyridine-3-carbonyl)morpholine-4-carboxylate?
The IUPAC name of tert-butyl 3-(5-methylpyridine-3-carbonyl)morpholine-4-carboxylate (CID 103553981) is tert-butyl 3-(5-methylpyridine-3-carbonyl)morpholine-4-carboxylate.
What is the SMILES notation for tert-butyl 3-(5-methylpyridine-3-carbonyl)morpholine-4-carboxylate?
The canonical SMILES for tert-butyl 3-(5-methylpyridine-3-carbonyl)morpholine-4-carboxylate is Cc1cncc(C(=O)C2COCCN2C(=O)OC(C)(C)C)c1.
What is the InChIKey of tert-butyl 3-(5-methylpyridine-3-carbonyl)morpholine-4-carboxylate?
The InChIKey is RECYQKFXINONBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O4/c1-11-7-12(9-17-8-11)14(19)13-10-21-6-5-18(13)15(20)22-16(2,3)4/h7-9,13H,5-6,10H2,1-4H3.
What are the key properties of tert-butyl 3-(5-methylpyridine-3-carbonyl)morpholine-4-carboxylate?
tert-butyl 3-(5-methylpyridine-3-carbonyl)morpholine-4-carboxylate has a molecular weight of 306.36 g/mol, XLogP of 2.21, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(5-methylpyridine-3-carbonyl)morpholine-4-carboxylate is sourced from PubChem (CID 103553981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).