N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide;dihydrochloride

C18H27Cl2N5O3 — CID 171710142

IUPACN-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide;dihydrochloride
SMILESCCn1cnnc1CCNC(=O)c1c(C)cc(C2CCCNC2)oc1=O.Cl.Cl
InChIInChI=1S/C18H25N5O3.2ClH/c1-3-23-11-21-22-15(23)6-8-20-17(24)16-12(2)9-14(26-18(16)25)13-5-4-7-19-10-13;;/h9,11,13,19H,3-8,10H2,1-2H3,(H,20,24);2*1H
InChIKeyVLIONGKJOGOIME-UHFFFAOYSA-N
MW432.35 g/mol
LogP1.84
Rot. Bonds6

About N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide;dihydrochloride

N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide;dihydrochloride (PubChem CID 171710142) has the molecular formula C18H27Cl2N5O3 and a molecular weight of 432.35 g/mol. Its IUPAC name is N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide;dihydrochloride
PubChem CID171710142
Molecular FormulaC18H27Cl2N5O3
Molecular Weight432.35 g/mol
Exact Mass431.15
IUPAC NameN-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide;dihydrochloride
SMILESCCn1cnnc1CCNC(=O)c1c(C)cc(C2CCCNC2)oc1=O.Cl.Cl
InChIInChI=1S/C18H25N5O3.2ClH/c1-3-23-11-21-22-15(23)6-8-20-17(24)16-12(2)9-14(26-18(16)25)13-5-4-7-19-10-13;;/h9,11,13,19H,3-8,10H2,1-2H3,(H,20,24);2*1H
InChIKeyVLIONGKJOGOIME-UHFFFAOYSA-N
XLogP1.84
TPSA102.05 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.35
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide;dihydrochloride with MolForge

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Launch Full Analysis

Related Compounds

N-[2-(3,5-dimethyl-2-pyridinyl)ethyl]-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide
CID 170507480
4-methyl-N-[2-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-2-oxo-6-piperidin-3-ylpyran-3-carboxamide
CID 169412165
4-methyl-N-[3-(4-methylpyrazol-1-yl)propyl]-2-oxo-6-piperidin-3-ylpyran-3-carboxamide;dihydrochloride
CID 171710778
4-methyl-2-oxo-6-piperidin-3-yl-N-[[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl]pyran-3-carboxamide;hydrochloride
CID 171707518
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-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]pyran-3-carboxamide;hydrochloride
CID 171709894
N-[1-(2-hydroxyethyl)-3,5-dimethylpyrazol-4-yl]-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide
CID 171387824
N-[2-(diethylamino)ethyl]-N-ethyl-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide
CID 170511246
4-methyl-2-oxo-N-[(3-phenyl-1H-pyrazol-5-yl)methyl]-6-piperidin-3-ylpyran-3-carboxamide;hydrochloride
CID 171710954
N-methyl-5-[[(4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carbonyl)amino]methyl]-1,2,4-oxadiazole-3-carboxamide;hydrochloride
CID 171710788
4-methyl-2-oxo-6-piperidin-3-yl-N-(2,5,6-trimethyl-3-pyridinyl)pyran-3-carboxamide;dihydrochloride
CID 171709033
4-methyl-2-oxo-6-piperidin-3-yl-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]pyran-3-carboxamide;hydrochloride
CID 171707282

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide;dihydrochloride?
The IUPAC name of N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide;dihydrochloride (CID 171710142) is N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide;dihydrochloride.
What is the SMILES notation for N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide;dihydrochloride?
The canonical SMILES for N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide;dihydrochloride is CCn1cnnc1CCNC(=O)c1c(C)cc(C2CCCNC2)oc1=O.Cl.Cl.
What is the InChIKey of N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide;dihydrochloride?
The InChIKey is VLIONGKJOGOIME-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O3.2ClH/c1-3-23-11-21-22-15(23)6-8-20-17(24)16-12(2)9-14(26-18(16)25)13-5-4-7-19-10-13;;/h9,11,13,19H,3-8,10H2,1-2H3,(H,20,24);2*1H.
What are the key properties of N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide;dihydrochloride?
N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide;dihydrochloride has a molecular weight of 432.35 g/mol, XLogP of 1.84, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide;dihydrochloride is sourced from PubChem (CID 171710142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).