methyl 3-[(4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carbonyl)amino]cyclobutane-1-carboxylate

C18H24N2O5 — CID 170507450

IUPACmethyl 3-[(4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carbonyl)amino]cyclobutane-1-carboxylate
SMILESCOC(=O)C1CC(NC(=O)c2c(C)cc(C3CCCNC3)oc2=O)C1
InChIInChI=1S/C18H24N2O5/c1-10-6-14(11-4-3-5-19-9-11)25-18(23)15(10)16(21)20-13-7-12(8-13)17(22)24-2/h6,11-13,19H,3-5,7-9H2,1-2H3,(H,20,21)
InChIKeyFTJHIAKBDXGWLW-UHFFFAOYSA-N
MW348.40 g/mol
LogP1.10
Rot. Bonds4

About methyl 3-[(4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carbonyl)amino]cyclobutane-1-carboxylate

methyl 3-[(4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carbonyl)amino]cyclobutane-1-carboxylate (PubChem CID 170507450) has the molecular formula C18H24N2O5 and a molecular weight of 348.40 g/mol. Its IUPAC name is methyl 3-[(4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carbonyl)amino]cyclobutane-1-carboxylate.

Molecular Properties

Compound Namemethyl 3-[(4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carbonyl)amino]cyclobutane-1-carboxylate
PubChem CID170507450
Molecular FormulaC18H24N2O5
Molecular Weight348.40 g/mol
Exact Mass348.17
IUPAC Namemethyl 3-[(4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carbonyl)amino]cyclobutane-1-carboxylate
SMILESCOC(=O)C1CC(NC(=O)c2c(C)cc(C3CCCNC3)oc2=O)C1
InChIInChI=1S/C18H24N2O5/c1-10-6-14(11-4-3-5-19-9-11)25-18(23)15(10)16(21)20-13-7-12(8-13)17(22)24-2/h6,11-13,19H,3-5,7-9H2,1-2H3,(H,20,21)
InChIKeyFTJHIAKBDXGWLW-UHFFFAOYSA-N
XLogP1.10
TPSA97.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze methyl 3-[(4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carbonyl)amino]cyclobutane-1-carboxylate with MolForge

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Related Compounds

methyl (1S,5R)-3-(4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carbonyl)-3-azabicyclo[3.1.0]hexane-6-carboxylate
CID 170511437
4-methyl-2-oxo-N-(2-phenylmethoxyethyl)-6-piperidin-3-ylpyran-3-carboxamide
CID 170512267
4-methyl-2-oxo-6-piperidin-3-yl-N-(2,5,6-trimethyl-3-pyridinyl)pyran-3-carboxamide;dihydrochloride
CID 171709033
N-(2-fluoro-5-methylphenyl)-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide
CID 170511577
N-[2-(3,5-dimethyl-2-pyridinyl)ethyl]-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide
CID 170507480
N-(5-tert-butyl-2-methoxyphenyl)-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide;hydrochloride
CID 171713133
N-(3-hydroxy-2-pyridinyl)-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide
CID 170509910
N-(4-butoxyphenyl)-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide
CID 170510382
4-methyl-N-[2-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-2-oxo-6-piperidin-3-ylpyran-3-carboxamide
CID 169412165
N-(4-ethyl-2-pyridinyl)-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide
CID 170504297
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide;hydrochloride
CID 171712491
N-[(2-chloro-6-fluorophenyl)methyl]-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide
CID 170504651

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carbonyl)amino]cyclobutane-1-carboxylate?
The IUPAC name of methyl 3-[(4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carbonyl)amino]cyclobutane-1-carboxylate (CID 170507450) is methyl 3-[(4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carbonyl)amino]cyclobutane-1-carboxylate.
What is the SMILES notation for methyl 3-[(4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carbonyl)amino]cyclobutane-1-carboxylate?
The canonical SMILES for methyl 3-[(4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carbonyl)amino]cyclobutane-1-carboxylate is COC(=O)C1CC(NC(=O)c2c(C)cc(C3CCCNC3)oc2=O)C1.
What is the InChIKey of methyl 3-[(4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carbonyl)amino]cyclobutane-1-carboxylate?
The InChIKey is FTJHIAKBDXGWLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O5/c1-10-6-14(11-4-3-5-19-9-11)25-18(23)15(10)16(21)20-13-7-12(8-13)17(22)24-2/h6,11-13,19H,3-5,7-9H2,1-2H3,(H,20,21).
What are the key properties of methyl 3-[(4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carbonyl)amino]cyclobutane-1-carboxylate?
methyl 3-[(4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carbonyl)amino]cyclobutane-1-carboxylate has a molecular weight of 348.40 g/mol, XLogP of 1.10, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carbonyl)amino]cyclobutane-1-carboxylate is sourced from PubChem (CID 170507450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).