tert-butyl 4-(1-methyl-2-oxopyridine-4-carbonyl)piperidine-1-carboxylate

C17H24N2O4 — CID 123619828

IUPACtert-butyl 4-(1-methyl-2-oxopyridine-4-carbonyl)piperidine-1-carboxylate
SMILESCn1ccc(C(=O)C2CCN(C(=O)OC(C)(C)C)CC2)cc1=O
InChIInChI=1S/C17H24N2O4/c1-17(2,3)23-16(22)19-9-6-12(7-10-19)15(21)13-5-8-18(4)14(20)11-13/h5,8,11-12H,6-7,9-10H2,1-4H3
InChIKeyBSIMVHSTUSTMLK-UHFFFAOYSA-N
MW320.39 g/mol
LogP2.22
Rot. Bonds2

About tert-butyl 4-(1-methyl-2-oxopyridine-4-carbonyl)piperidine-1-carboxylate

tert-butyl 4-(1-methyl-2-oxopyridine-4-carbonyl)piperidine-1-carboxylate (PubChem CID 123619828) has the molecular formula C17H24N2O4 and a molecular weight of 320.39 g/mol. Its IUPAC name is tert-butyl 4-(1-methyl-2-oxopyridine-4-carbonyl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(1-methyl-2-oxopyridine-4-carbonyl)piperidine-1-carboxylate
PubChem CID123619828
Molecular FormulaC17H24N2O4
Molecular Weight320.39 g/mol
Exact Mass320.17
IUPAC Nametert-butyl 4-(1-methyl-2-oxopyridine-4-carbonyl)piperidine-1-carboxylate
SMILESCn1ccc(C(=O)C2CCN(C(=O)OC(C)(C)C)CC2)cc1=O
InChIInChI=1S/C17H24N2O4/c1-17(2,3)23-16(22)19-9-6-12(7-10-19)15(21)13-5-8-18(4)14(20)11-13/h5,8,11-12H,6-7,9-10H2,1-4H3
InChIKeyBSIMVHSTUSTMLK-UHFFFAOYSA-N
XLogP2.22
TPSA68.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(1-methyl-2-oxopyridine-4-carbonyl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(1-methyl-2-oxopyridine-4-carbonyl)piperidine-1-carboxylate (CID 123619828) is tert-butyl 4-(1-methyl-2-oxopyridine-4-carbonyl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(1-methyl-2-oxopyridine-4-carbonyl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(1-methyl-2-oxopyridine-4-carbonyl)piperidine-1-carboxylate is Cn1ccc(C(=O)C2CCN(C(=O)OC(C)(C)C)CC2)cc1=O.
What is the InChIKey of tert-butyl 4-(1-methyl-2-oxopyridine-4-carbonyl)piperidine-1-carboxylate?
The InChIKey is BSIMVHSTUSTMLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O4/c1-17(2,3)23-16(22)19-9-6-12(7-10-19)15(21)13-5-8-18(4)14(20)11-13/h5,8,11-12H,6-7,9-10H2,1-4H3.
What are the key properties of tert-butyl 4-(1-methyl-2-oxopyridine-4-carbonyl)piperidine-1-carboxylate?
tert-butyl 4-(1-methyl-2-oxopyridine-4-carbonyl)piperidine-1-carboxylate has a molecular weight of 320.39 g/mol, XLogP of 2.22, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(1-methyl-2-oxopyridine-4-carbonyl)piperidine-1-carboxylate is sourced from PubChem (CID 123619828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).