tert-butyl 3-(1-propylimidazole-2-carbonyl)morpholine-4-carboxylate

C16H25N3O4 — CID 103554048

IUPACtert-butyl 3-(1-propylimidazole-2-carbonyl)morpholine-4-carboxylate
SMILESCCCn1ccnc1C(=O)C1COCCN1C(=O)OC(C)(C)C
InChIInChI=1S/C16H25N3O4/c1-5-7-18-8-6-17-14(18)13(20)12-11-22-10-9-19(12)15(21)23-16(2,3)4/h6,8,12H,5,7,9-11H2,1-4H3
InChIKeyGUJFJZKBEGBGQA-UHFFFAOYSA-N
MW323.39 g/mol
LogP2.11
Rot. Bonds4

About tert-butyl 3-(1-propylimidazole-2-carbonyl)morpholine-4-carboxylate

tert-butyl 3-(1-propylimidazole-2-carbonyl)morpholine-4-carboxylate (PubChem CID 103554048) has the molecular formula C16H25N3O4 and a molecular weight of 323.39 g/mol. Its IUPAC name is tert-butyl 3-(1-propylimidazole-2-carbonyl)morpholine-4-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-(1-propylimidazole-2-carbonyl)morpholine-4-carboxylate
PubChem CID103554048
Molecular FormulaC16H25N3O4
Molecular Weight323.39 g/mol
Exact Mass323.18
IUPAC Nametert-butyl 3-(1-propylimidazole-2-carbonyl)morpholine-4-carboxylate
SMILESCCCn1ccnc1C(=O)C1COCCN1C(=O)OC(C)(C)C
InChIInChI=1S/C16H25N3O4/c1-5-7-18-8-6-17-14(18)13(20)12-11-22-10-9-19(12)15(21)23-16(2,3)4/h6,8,12H,5,7,9-11H2,1-4H3
InChIKeyGUJFJZKBEGBGQA-UHFFFAOYSA-N
XLogP2.11
TPSA73.66 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.39
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

tert-butyl 3-[2-(1-methylimidazol-2-yl)acetyl]morpholine-4-carboxylate
CID 103554079
tert-butyl 3-(2-ethylpyrazole-3-carbonyl)morpholine-4-carboxylate
CID 103554047
tert-butyl 3-(pyrazine-2-carbonyl)morpholine-4-carboxylate
CID 103554099
tert-butyl 3-(3,5-difluorobenzoyl)morpholine-4-carboxylate
CID 103553945
tert-butyl 3-(2,5-difluoropyridine-4-carbonyl)morpholine-4-carboxylate
CID 146014037
tert-butyl 3-nonanoylmorpholine-4-carboxylate
CID 103554093
tert-butyl 3-(2,2-dimethylpropanoyl)morpholine-4-carboxylate
CID 103553976
tert-butyl 3-(5-methylpyridine-3-carbonyl)morpholine-4-carboxylate
CID 103553981
(3-methyloxolan-2-yl)-(1-propylimidazol-2-yl)methanone
CID 114972690
tert-butyl 3-(4-fluoro-2-methylbenzoyl)morpholine-4-carboxylate
CID 103554020
tert-butyl 3-(2-cyanoacetyl)morpholine-4-carboxylate
CID 76668092
tert-butyl (3S)-3-ethylmorpholine-4-carboxylate
CID 135215862

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(1-propylimidazole-2-carbonyl)morpholine-4-carboxylate?
The IUPAC name of tert-butyl 3-(1-propylimidazole-2-carbonyl)morpholine-4-carboxylate (CID 103554048) is tert-butyl 3-(1-propylimidazole-2-carbonyl)morpholine-4-carboxylate.
What is the SMILES notation for tert-butyl 3-(1-propylimidazole-2-carbonyl)morpholine-4-carboxylate?
The canonical SMILES for tert-butyl 3-(1-propylimidazole-2-carbonyl)morpholine-4-carboxylate is CCCn1ccnc1C(=O)C1COCCN1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 3-(1-propylimidazole-2-carbonyl)morpholine-4-carboxylate?
The InChIKey is GUJFJZKBEGBGQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O4/c1-5-7-18-8-6-17-14(18)13(20)12-11-22-10-9-19(12)15(21)23-16(2,3)4/h6,8,12H,5,7,9-11H2,1-4H3.
What are the key properties of tert-butyl 3-(1-propylimidazole-2-carbonyl)morpholine-4-carboxylate?
tert-butyl 3-(1-propylimidazole-2-carbonyl)morpholine-4-carboxylate has a molecular weight of 323.39 g/mol, XLogP of 2.11, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(1-propylimidazole-2-carbonyl)morpholine-4-carboxylate is sourced from PubChem (CID 103554048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).