N-(5-tert-butyl-2-methoxyphenyl)-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide;hydrochloride

C23H31ClN2O4 — CID 171713133

IUPACN-(5-tert-butyl-2-methoxyphenyl)-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide;hydrochloride
SMILESCOc1ccc(C(C)(C)C)cc1NC(=O)c1c(C)cc(C2CCCNC2)oc1=O.Cl
InChIInChI=1S/C23H30N2O4.ClH/c1-14-11-19(15-7-6-10-24-13-15)29-22(27)20(14)21(26)25-17-12-16(23(2,3)4)8-9-18(17)28-5;/h8-9,11-12,15,24H,6-7,10,13H2,1-5H3,(H,25,26);1H
InChIKeyALLWJZXNFXPIGO-UHFFFAOYSA-N
MW434.96 g/mol
LogP4.40
Rot. Bonds4

About N-(5-tert-butyl-2-methoxyphenyl)-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide;hydrochloride

N-(5-tert-butyl-2-methoxyphenyl)-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide;hydrochloride (PubChem CID 171713133) has the molecular formula C23H31ClN2O4 and a molecular weight of 434.96 g/mol. Its IUPAC name is N-(5-tert-butyl-2-methoxyphenyl)-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(5-tert-butyl-2-methoxyphenyl)-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide;hydrochloride
PubChem CID171713133
Molecular FormulaC23H31ClN2O4
Molecular Weight434.96 g/mol
Exact Mass434.20
IUPAC NameN-(5-tert-butyl-2-methoxyphenyl)-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide;hydrochloride
SMILESCOc1ccc(C(C)(C)C)cc1NC(=O)c1c(C)cc(C2CCCNC2)oc1=O.Cl
InChIInChI=1S/C23H30N2O4.ClH/c1-14-11-19(15-7-6-10-24-13-15)29-22(27)20(14)21(26)25-17-12-16(23(2,3)4)8-9-18(17)28-5;/h8-9,11-12,15,24H,6-7,10,13H2,1-5H3,(H,25,26);1H
InChIKeyALLWJZXNFXPIGO-UHFFFAOYSA-N
XLogP4.40
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.96
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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-(6,7-dimethyl-3H-benzimidazol-5-yl)-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide;dihydrochloride
CID 171991734
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide;hydrochloride
CID 171712491
N-(6,7-dimethyl-3H-benzimidazol-5-yl)-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide
CID 171387971
methyl 3-[(4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carbonyl)amino]cyclobutane-1-carboxylate
CID 170507450
N-(3-cyclopentyloxyphenyl)-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide;hydrochloride
CID 171710732
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
N-(4-ethyl-2-pyridinyl)-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide
CID 170504297
N-[2-fluoro-5-(1,2,4-triazol-4-yl)phenyl]-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide
CID 171386392
N-[3-(dimethylsulfamoylamino)phenyl]-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide;hydrochloride
CID 171708402

Frequently Asked Questions

What is the IUPAC name of N-(5-tert-butyl-2-methoxyphenyl)-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide;hydrochloride?
The IUPAC name of N-(5-tert-butyl-2-methoxyphenyl)-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide;hydrochloride (CID 171713133) is N-(5-tert-butyl-2-methoxyphenyl)-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide;hydrochloride.
What is the SMILES notation for N-(5-tert-butyl-2-methoxyphenyl)-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide;hydrochloride?
The canonical SMILES for N-(5-tert-butyl-2-methoxyphenyl)-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide;hydrochloride is COc1ccc(C(C)(C)C)cc1NC(=O)c1c(C)cc(C2CCCNC2)oc1=O.Cl.
What is the InChIKey of N-(5-tert-butyl-2-methoxyphenyl)-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide;hydrochloride?
The InChIKey is ALLWJZXNFXPIGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O4.ClH/c1-14-11-19(15-7-6-10-24-13-15)29-22(27)20(14)21(26)25-17-12-16(23(2,3)4)8-9-18(17)28-5;/h8-9,11-12,15,24H,6-7,10,13H2,1-5H3,(H,25,26);1H.
What are the key properties of N-(5-tert-butyl-2-methoxyphenyl)-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide;hydrochloride?
N-(5-tert-butyl-2-methoxyphenyl)-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide;hydrochloride has a molecular weight of 434.96 g/mol, XLogP of 4.40, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-tert-butyl-2-methoxyphenyl)-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide;hydrochloride is sourced from PubChem (CID 171713133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).