N-(6,7-dimethyl-3H-benzimidazol-5-yl)-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide;dihydrochloride

C21H26Cl2N4O3 — CID 171991734

IUPACN-(6,7-dimethyl-3H-benzimidazol-5-yl)-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide;dihydrochloride
SMILESCc1cc(C2CCCNC2)oc(=O)c1C(=O)Nc1cc2[nH]cnc2c(C)c1C.Cl.Cl
InChIInChI=1S/C21H24N4O3.2ClH/c1-11-7-17(14-5-4-6-22-9-14)28-21(27)18(11)20(26)25-15-8-16-19(24-10-23-16)13(3)12(15)2;;/h7-8,10,14,22H,4-6,9H2,1-3H3,(H,23,24)(H,25,26);2*1H
InChIKeyUBBJAQGKNVOOBX-UHFFFAOYSA-N
MW453.37 g/mol
LogP4.00
Rot. Bonds3

About N-(6,7-dimethyl-3H-benzimidazol-5-yl)-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide;dihydrochloride

N-(6,7-dimethyl-3H-benzimidazol-5-yl)-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide;dihydrochloride (PubChem CID 171991734) has the molecular formula C21H26Cl2N4O3 and a molecular weight of 453.37 g/mol. Its IUPAC name is N-(6,7-dimethyl-3H-benzimidazol-5-yl)-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-(6,7-dimethyl-3H-benzimidazol-5-yl)-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide;dihydrochloride
PubChem CID171991734
Molecular FormulaC21H26Cl2N4O3
Molecular Weight453.37 g/mol
Exact Mass452.14
IUPAC NameN-(6,7-dimethyl-3H-benzimidazol-5-yl)-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide;dihydrochloride
SMILESCc1cc(C2CCCNC2)oc(=O)c1C(=O)Nc1cc2[nH]cnc2c(C)c1C.Cl.Cl
InChIInChI=1S/C21H24N4O3.2ClH/c1-11-7-17(14-5-4-6-22-9-14)28-21(27)18(11)20(26)25-15-8-16-19(24-10-23-16)13(3)12(15)2;;/h7-8,10,14,22H,4-6,9H2,1-3H3,(H,23,24)(H,25,26);2*1H
InChIKeyUBBJAQGKNVOOBX-UHFFFAOYSA-N
XLogP4.00
TPSA100.02 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.37
LogP ≤ 54.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(6,7-dimethyl-3H-benzimidazol-5-yl)-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide
CID 171387971
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-(3-hydroxy-2-pyridinyl)-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide
CID 170509910
N-(4-ethyl-2-pyridinyl)-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide
CID 170504297
N-(5-tert-butyl-2-methoxyphenyl)-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide;hydrochloride
CID 171713133
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide;hydrochloride
CID 171712491
N-[2-fluoro-5-(1,2,4-triazol-4-yl)phenyl]-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide
CID 171386392
N-[1-(2-hydroxyethyl)-3,5-dimethylpyrazol-4-yl]-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide
CID 171387824
N-(3-cyclopentyloxyphenyl)-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide;hydrochloride
CID 171710732
N-(4-butoxyphenyl)-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide
CID 170510382
N-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide
CID 170506338

Frequently Asked Questions

What is the IUPAC name of N-(6,7-dimethyl-3H-benzimidazol-5-yl)-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide;dihydrochloride?
The IUPAC name of N-(6,7-dimethyl-3H-benzimidazol-5-yl)-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide;dihydrochloride (CID 171991734) is N-(6,7-dimethyl-3H-benzimidazol-5-yl)-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide;dihydrochloride.
What is the SMILES notation for N-(6,7-dimethyl-3H-benzimidazol-5-yl)-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide;dihydrochloride?
The canonical SMILES for N-(6,7-dimethyl-3H-benzimidazol-5-yl)-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide;dihydrochloride is Cc1cc(C2CCCNC2)oc(=O)c1C(=O)Nc1cc2[nH]cnc2c(C)c1C.Cl.Cl.
What is the InChIKey of N-(6,7-dimethyl-3H-benzimidazol-5-yl)-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide;dihydrochloride?
The InChIKey is UBBJAQGKNVOOBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O3.2ClH/c1-11-7-17(14-5-4-6-22-9-14)28-21(27)18(11)20(26)25-15-8-16-19(24-10-23-16)13(3)12(15)2;;/h7-8,10,14,22H,4-6,9H2,1-3H3,(H,23,24)(H,25,26);2*1H.
What are the key properties of N-(6,7-dimethyl-3H-benzimidazol-5-yl)-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide;dihydrochloride?
N-(6,7-dimethyl-3H-benzimidazol-5-yl)-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide;dihydrochloride has a molecular weight of 453.37 g/mol, XLogP of 4.00, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6,7-dimethyl-3H-benzimidazol-5-yl)-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide;dihydrochloride is sourced from PubChem (CID 171991734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).