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

C22H28Cl2N4O3 — CID 171712694

IUPACN-[2-(benzimidazol-1-yl)ethyl]-N,4-dimethyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide;dihydrochloride
SMILESCc1cc(C2CCCNC2)oc(=O)c1C(=O)N(C)CCn1cnc2ccccc21.Cl.Cl
InChIInChI=1S/C22H26N4O3.2ClH/c1-15-12-19(16-6-5-9-23-13-16)29-22(28)20(15)21(27)25(2)10-11-26-14-24-17-7-3-4-8-18(17)26;;/h3-4,7-8,12,14,16,23H,5-6,9-11,13H2,1-2H3;2*1H
InChIKeySEWZKZITTHAEKK-UHFFFAOYSA-N
MW467.40 g/mol
LogP3.38
Rot. Bonds5

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

N-[2-(benzimidazol-1-yl)ethyl]-N,4-dimethyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide;dihydrochloride (PubChem CID 171712694) has the molecular formula C22H28Cl2N4O3 and a molecular weight of 467.40 g/mol. Its IUPAC name is N-[2-(benzimidazol-1-yl)ethyl]-N,4-dimethyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-[2-(benzimidazol-1-yl)ethyl]-N,4-dimethyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide;dihydrochloride
PubChem CID171712694
Molecular FormulaC22H28Cl2N4O3
Molecular Weight467.40 g/mol
Exact Mass466.15
IUPAC NameN-[2-(benzimidazol-1-yl)ethyl]-N,4-dimethyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide;dihydrochloride
SMILESCc1cc(C2CCCNC2)oc(=O)c1C(=O)N(C)CCn1cnc2ccccc21.Cl.Cl
InChIInChI=1S/C22H26N4O3.2ClH/c1-15-12-19(16-6-5-9-23-13-16)29-22(28)20(15)21(27)25(2)10-11-26-14-24-17-7-3-4-8-18(17)26;;/h3-4,7-8,12,14,16,23H,5-6,9-11,13H2,1-2H3;2*1H
InChIKeySEWZKZITTHAEKK-UHFFFAOYSA-N
XLogP3.38
TPSA80.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.40
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Related Compounds

N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N,4-dimethyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide;hydrochloride
CID 171710983
N-[2-(diethylamino)ethyl]-N-ethyl-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide
CID 170511246
N-(1H-benzimidazol-2-ylmethyl)-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide
CID 170513093
N-ethyl-N-[2-(4-fluorophenoxy)ethyl]-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide
CID 170502410
N-[2-(benzimidazol-1-yl)ethyl]-N-methyl-2-[4-(pyrrolidin-3-ylmethyl)phenyl]acetamide;dihydrochloride
CID 171325152
4-methyl-2-oxo-N-[(3-phenyl-1H-pyrazol-5-yl)methyl]-6-piperidin-3-ylpyran-3-carboxamide;hydrochloride
CID 171710954
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
N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide;dihydrochloride
CID 171710142
N-[1-(2-hydroxyethyl)-3,5-dimethylpyrazol-4-yl]-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide
CID 171387824
N-(3-hydroxy-2-pyridinyl)-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide
CID 170509910
4-methyl-N-[3-(4-methylpyrazol-1-yl)propyl]-2-oxo-6-piperidin-3-ylpyran-3-carboxamide;dihydrochloride
CID 171710778
N-(2-ethyl-1-methylbenzimidazol-5-yl)-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide
CID 170507137

Frequently Asked Questions

What is the IUPAC name of N-[2-(benzimidazol-1-yl)ethyl]-N,4-dimethyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide;dihydrochloride?
The IUPAC name of N-[2-(benzimidazol-1-yl)ethyl]-N,4-dimethyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide;dihydrochloride (CID 171712694) is N-[2-(benzimidazol-1-yl)ethyl]-N,4-dimethyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide;dihydrochloride.
What is the SMILES notation for N-[2-(benzimidazol-1-yl)ethyl]-N,4-dimethyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide;dihydrochloride?
The canonical SMILES for N-[2-(benzimidazol-1-yl)ethyl]-N,4-dimethyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide;dihydrochloride is Cc1cc(C2CCCNC2)oc(=O)c1C(=O)N(C)CCn1cnc2ccccc21.Cl.Cl.
What is the InChIKey of N-[2-(benzimidazol-1-yl)ethyl]-N,4-dimethyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide;dihydrochloride?
The InChIKey is SEWZKZITTHAEKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O3.2ClH/c1-15-12-19(16-6-5-9-23-13-16)29-22(28)20(15)21(27)25(2)10-11-26-14-24-17-7-3-4-8-18(17)26;;/h3-4,7-8,12,14,16,23H,5-6,9-11,13H2,1-2H3;2*1H.
What are the key properties of N-[2-(benzimidazol-1-yl)ethyl]-N,4-dimethyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide;dihydrochloride?
N-[2-(benzimidazol-1-yl)ethyl]-N,4-dimethyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide;dihydrochloride has a molecular weight of 467.40 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(benzimidazol-1-yl)ethyl]-N,4-dimethyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide;dihydrochloride is sourced from PubChem (CID 171712694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).