1-(4,6-dimethylpyrimidin-2-yl)-N-[2-(1-methylbenzimidazol-2-yl)ethyl]piperidine-4-carboxamide

C22H28N6O — CID 71710226

IUPAC1-(4,6-dimethylpyrimidin-2-yl)-N-[2-(1-methylbenzimidazol-2-yl)ethyl]piperidine-4-carboxamide
SMILESCc1cc(C)nc(N2CCC(C(=O)NCCc3nc4ccccc4n3C)CC2)n1
InChIInChI=1S/C22H28N6O/c1-15-14-16(2)25-22(24-15)28-12-9-17(10-13-28)21(29)23-11-8-20-26-18-6-4-5-7-19(18)27(20)3/h4-7,14,17H,8-13H2,1-3H3,(H,23,29)
InChIKeyJWSQOWQMWAPMIY-UHFFFAOYSA-N
MW392.51 g/mol
LogP2.56
Rot. Bonds5

About 1-(4,6-dimethylpyrimidin-2-yl)-N-[2-(1-methylbenzimidazol-2-yl)ethyl]piperidine-4-carboxamide

1-(4,6-dimethylpyrimidin-2-yl)-N-[2-(1-methylbenzimidazol-2-yl)ethyl]piperidine-4-carboxamide (PubChem CID 71710226) has the molecular formula C22H28N6O and a molecular weight of 392.51 g/mol. Its IUPAC name is 1-(4,6-dimethylpyrimidin-2-yl)-N-[2-(1-methylbenzimidazol-2-yl)ethyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(4,6-dimethylpyrimidin-2-yl)-N-[2-(1-methylbenzimidazol-2-yl)ethyl]piperidine-4-carboxamide
PubChem CID71710226
Molecular FormulaC22H28N6O
Molecular Weight392.51 g/mol
Exact Mass392.23
IUPAC Name1-(4,6-dimethylpyrimidin-2-yl)-N-[2-(1-methylbenzimidazol-2-yl)ethyl]piperidine-4-carboxamide
SMILESCc1cc(C)nc(N2CCC(C(=O)NCCc3nc4ccccc4n3C)CC2)n1
InChIInChI=1S/C22H28N6O/c1-15-14-16(2)25-22(24-15)28-12-9-17(10-13-28)21(29)23-11-8-20-26-18-6-4-5-7-19(18)27(20)3/h4-7,14,17H,8-13H2,1-3H3,(H,23,29)
InChIKeyJWSQOWQMWAPMIY-UHFFFAOYSA-N
XLogP2.56
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.51
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4,6-dimethylpyrimidin-2-yl)-N-[2-(2-fluorophenyl)ethyl]piperidine-4-carboxamide
CID 650826
N-[2-(3-fluorophenyl)ethyl]-1-(1-methylbenzimidazol-2-yl)piperidine-4-carboxamide
CID 16675649
N-[3-(1-methylbenzimidazol-2-yl)propyl]pyrrolidine-3-carboxamide
CID 119889963
(3R)-1-(2-amino-2-oxoethyl)-N-[3-(1-methylbenzimidazol-2-yl)propyl]piperidine-3-carboxamide
CID 97148275
(3R)-1-(2-methoxyacetyl)-N-[2-(1-methylbenzimidazol-2-yl)ethyl]piperidine-3-carboxamide
CID 97116576
N-[2-[1-[(3-methylphenyl)methyl]benzimidazol-2-yl]ethyl]cyclopropanecarboxamide
CID 16975159
(3S)-1-[(1-methylbenzimidazol-2-yl)methyl]-N-(2-phenylethyl)piperidine-3-carboxamide
CID 124915385
N-[2-(1-butylbenzimidazol-2-yl)ethyl]cyclopropanecarboxamide
CID 16975142
1-(4-methylquinazolin-2-yl)-N-(2-naphthalen-2-ylethyl)piperidine-4-carboxamide
CID 26275494
N-(2-amino-2-oxoethyl)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carboxamide
CID 3223325
N-[3-(1-methylbenzimidazol-2-yl)propyl]-1-propanoylpiperidine-3-carboxamide
CID 72904958
N-[2-(1-octylbenzimidazol-2-yl)ethyl]cyclopropanecarboxamide
CID 16975148

Frequently Asked Questions

What is the IUPAC name of 1-(4,6-dimethylpyrimidin-2-yl)-N-[2-(1-methylbenzimidazol-2-yl)ethyl]piperidine-4-carboxamide?
The IUPAC name of 1-(4,6-dimethylpyrimidin-2-yl)-N-[2-(1-methylbenzimidazol-2-yl)ethyl]piperidine-4-carboxamide (CID 71710226) is 1-(4,6-dimethylpyrimidin-2-yl)-N-[2-(1-methylbenzimidazol-2-yl)ethyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(4,6-dimethylpyrimidin-2-yl)-N-[2-(1-methylbenzimidazol-2-yl)ethyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(4,6-dimethylpyrimidin-2-yl)-N-[2-(1-methylbenzimidazol-2-yl)ethyl]piperidine-4-carboxamide is Cc1cc(C)nc(N2CCC(C(=O)NCCc3nc4ccccc4n3C)CC2)n1.
What is the InChIKey of 1-(4,6-dimethylpyrimidin-2-yl)-N-[2-(1-methylbenzimidazol-2-yl)ethyl]piperidine-4-carboxamide?
The InChIKey is JWSQOWQMWAPMIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N6O/c1-15-14-16(2)25-22(24-15)28-12-9-17(10-13-28)21(29)23-11-8-20-26-18-6-4-5-7-19(18)27(20)3/h4-7,14,17H,8-13H2,1-3H3,(H,23,29).
What are the key properties of 1-(4,6-dimethylpyrimidin-2-yl)-N-[2-(1-methylbenzimidazol-2-yl)ethyl]piperidine-4-carboxamide?
1-(4,6-dimethylpyrimidin-2-yl)-N-[2-(1-methylbenzimidazol-2-yl)ethyl]piperidine-4-carboxamide has a molecular weight of 392.51 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,6-dimethylpyrimidin-2-yl)-N-[2-(1-methylbenzimidazol-2-yl)ethyl]piperidine-4-carboxamide is sourced from PubChem (CID 71710226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).