tert-butyl 5-(5-methyl-2-oxopiperidin-1-yl)-3,4-dihydro-2H-pyridine-1-carboxylate

C16H26N2O3 — CID 166162716

IUPACtert-butyl 5-(5-methyl-2-oxopiperidin-1-yl)-3,4-dihydro-2H-pyridine-1-carboxylate
SMILESCC1CCC(=O)N(C2=CN(C(=O)OC(C)(C)C)CCC2)C1
InChIInChI=1S/C16H26N2O3/c1-12-7-8-14(19)18(10-12)13-6-5-9-17(11-13)15(20)21-16(2,3)4/h11-12H,5-10H2,1-4H3
InChIKeyBCOHFQPXANYJFX-UHFFFAOYSA-N
MW294.39 g/mol
LogP3.12
Rot. Bonds1

About tert-butyl 5-(5-methyl-2-oxopiperidin-1-yl)-3,4-dihydro-2H-pyridine-1-carboxylate

tert-butyl 5-(5-methyl-2-oxopiperidin-1-yl)-3,4-dihydro-2H-pyridine-1-carboxylate (PubChem CID 166162716) has the molecular formula C16H26N2O3 and a molecular weight of 294.39 g/mol. Its IUPAC name is tert-butyl 5-(5-methyl-2-oxopiperidin-1-yl)-3,4-dihydro-2H-pyridine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 5-(5-methyl-2-oxopiperidin-1-yl)-3,4-dihydro-2H-pyridine-1-carboxylate
PubChem CID166162716
Molecular FormulaC16H26N2O3
Molecular Weight294.39 g/mol
Exact Mass294.19
IUPAC Nametert-butyl 5-(5-methyl-2-oxopiperidin-1-yl)-3,4-dihydro-2H-pyridine-1-carboxylate
SMILESCC1CCC(=O)N(C2=CN(C(=O)OC(C)(C)C)CCC2)C1
InChIInChI=1S/C16H26N2O3/c1-12-7-8-14(19)18(10-12)13-6-5-9-17(11-13)15(20)21-16(2,3)4/h11-12H,5-10H2,1-4H3
InChIKeyBCOHFQPXANYJFX-UHFFFAOYSA-N
XLogP3.12
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 5-pyrrolidin-1-yl-3,4-dihydro-2H-pyridine-1-carboxylate
CID 58101280
tert-butyl 4-amino-3-methyl-2,3-dihydropyrrole-1-carboxylate
CID 90955389
tert-butyl (3R)-3-methylpyrrolidine-1-carboxylate
CID 59070240
ditert-butyl (3S,6R)-3,6-dimethyldiazinane-1,2-dicarboxylate
CID 101100448
tert-butyl 5-piperidin-3-yl-3,4-dihydro-2H-pyridine-1-carboxylate
CID 172561153
tert-butyl 2-hydroxy-5-oxopyrrolidine-1-carboxylate
CID 14686213
tert-butyl (2R)-2-hydroxy-5-oxopyrrolidine-1-carboxylate
CID 124704515
tert-butyl 2,4-dimethyl-3-oxoazetidine-1-carboxylate
CID 135392142
tert-butyl (5R)-2-hydroxy-5-methylpyrrolidine-1-carboxylate
CID 90048538
ditert-butyl 3,6-dioxodiazinane-1,2-dicarboxylate
CID 101100447
tert-butyl 2,5-dimethyl-3-oxopiperidine-1-carboxylate
CID 155819641
tert-butyl (3S)-3-methyl-5-oxopiperidine-1-carboxylate
CID 119081421

Frequently Asked Questions

What is the IUPAC name of tert-butyl 5-(5-methyl-2-oxopiperidin-1-yl)-3,4-dihydro-2H-pyridine-1-carboxylate?
The IUPAC name of tert-butyl 5-(5-methyl-2-oxopiperidin-1-yl)-3,4-dihydro-2H-pyridine-1-carboxylate (CID 166162716) is tert-butyl 5-(5-methyl-2-oxopiperidin-1-yl)-3,4-dihydro-2H-pyridine-1-carboxylate.
What is the SMILES notation for tert-butyl 5-(5-methyl-2-oxopiperidin-1-yl)-3,4-dihydro-2H-pyridine-1-carboxylate?
The canonical SMILES for tert-butyl 5-(5-methyl-2-oxopiperidin-1-yl)-3,4-dihydro-2H-pyridine-1-carboxylate is CC1CCC(=O)N(C2=CN(C(=O)OC(C)(C)C)CCC2)C1.
What is the InChIKey of tert-butyl 5-(5-methyl-2-oxopiperidin-1-yl)-3,4-dihydro-2H-pyridine-1-carboxylate?
The InChIKey is BCOHFQPXANYJFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3/c1-12-7-8-14(19)18(10-12)13-6-5-9-17(11-13)15(20)21-16(2,3)4/h11-12H,5-10H2,1-4H3.
What are the key properties of tert-butyl 5-(5-methyl-2-oxopiperidin-1-yl)-3,4-dihydro-2H-pyridine-1-carboxylate?
tert-butyl 5-(5-methyl-2-oxopiperidin-1-yl)-3,4-dihydro-2H-pyridine-1-carboxylate has a molecular weight of 294.39 g/mol, XLogP of 3.12, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 5-(5-methyl-2-oxopiperidin-1-yl)-3,4-dihydro-2H-pyridine-1-carboxylate is sourced from PubChem (CID 166162716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).