tert-butyl 3-oxo-4,5-dipropyl-2,6-dihydropyridine-1-carboxylate

C16H27NO3 — CID 71269744

IUPACtert-butyl 3-oxo-4,5-dipropyl-2,6-dihydropyridine-1-carboxylate
SMILESCCCC1=C(CCC)C(=O)CN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C16H27NO3/c1-6-8-12-10-17(15(19)20-16(3,4)5)11-14(18)13(12)9-7-2/h6-11H2,1-5H3
InChIKeyOHGSZORRXNCKDK-UHFFFAOYSA-N
MW281.40 g/mol
LogP3.70
Rot. Bonds4

About tert-butyl 3-oxo-4,5-dipropyl-2,6-dihydropyridine-1-carboxylate

tert-butyl 3-oxo-4,5-dipropyl-2,6-dihydropyridine-1-carboxylate (PubChem CID 71269744) has the molecular formula C16H27NO3 and a molecular weight of 281.40 g/mol. Its IUPAC name is tert-butyl 3-oxo-4,5-dipropyl-2,6-dihydropyridine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-oxo-4,5-dipropyl-2,6-dihydropyridine-1-carboxylate
PubChem CID71269744
Molecular FormulaC16H27NO3
Molecular Weight281.40 g/mol
Exact Mass281.20
IUPAC Nametert-butyl 3-oxo-4,5-dipropyl-2,6-dihydropyridine-1-carboxylate
SMILESCCCC1=C(CCC)C(=O)CN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C16H27NO3/c1-6-8-12-10-17(15(19)20-16(3,4)5)11-14(18)13(12)9-7-2/h6-11H2,1-5H3
InChIKeyOHGSZORRXNCKDK-UHFFFAOYSA-N
XLogP3.70
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[3-butyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-5-oxo-2,6-dihydropyridin-4-yl]-trifluoroboranuide
CID 138977782
tert-butyl 2-benzyl-3-oxo-4,5-dipropyl-2,6-dihydropyridine-1-carboxylate
CID 71270302
tert-butyl 3,5-dioxopiperidine-1-carboxylate;hydrochloride
CID 170354095
tert-butyl 3-methylideneazetidine-1-carboxylate
CID 55269097
tert-butyl 7-oxo-4,6-dihydrofuro[3,4-c]pyridine-5-carboxylate
CID 69346526
tert-butyl (3Z)-3-(1-hydroxypropylidene)-4-oxopiperidine-1-carboxylate
CID 164822270
tert-butyl 3-fluoro-4-oxopyrrolidine-1-carboxylate
CID 45158916
tert-butyl (3S)-3-methyl-5-oxopiperidine-1-carboxylate
CID 119081421
tert-butyl 4,4-dimethyl-3-oxopiperidine-1-carboxylate
CID 86276531
2-[5-[(2-methylpropan-2-yl)oxycarbonyl]-3-propyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]acetic acid
CID 82588780
1-O-tert-butyl 3-O-ethyl (3S)-5-oxopiperidine-1,3-dicarboxylate
CID 97135989
tert-butyl 4-(4-propylbenzoyl)piperazine-1-carboxylate
CID 52755296

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-oxo-4,5-dipropyl-2,6-dihydropyridine-1-carboxylate?
The IUPAC name of tert-butyl 3-oxo-4,5-dipropyl-2,6-dihydropyridine-1-carboxylate (CID 71269744) is tert-butyl 3-oxo-4,5-dipropyl-2,6-dihydropyridine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-oxo-4,5-dipropyl-2,6-dihydropyridine-1-carboxylate?
The canonical SMILES for tert-butyl 3-oxo-4,5-dipropyl-2,6-dihydropyridine-1-carboxylate is CCCC1=C(CCC)C(=O)CN(C(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl 3-oxo-4,5-dipropyl-2,6-dihydropyridine-1-carboxylate?
The InChIKey is OHGSZORRXNCKDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO3/c1-6-8-12-10-17(15(19)20-16(3,4)5)11-14(18)13(12)9-7-2/h6-11H2,1-5H3.
What are the key properties of tert-butyl 3-oxo-4,5-dipropyl-2,6-dihydropyridine-1-carboxylate?
tert-butyl 3-oxo-4,5-dipropyl-2,6-dihydropyridine-1-carboxylate has a molecular weight of 281.40 g/mol, XLogP of 3.70, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-oxo-4,5-dipropyl-2,6-dihydropyridine-1-carboxylate is sourced from PubChem (CID 71269744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).