N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-[4-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]acetamide

C22H30N6O — CID 50985043

IUPACN-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-[4-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]acetamide
SMILESCCn1nc(C)c(NC(=O)CN2CCC(c3nc4c(C)cccc4[nH]3)CC2)c1C
InChIInChI=1S/C22H30N6O/c1-5-28-16(4)21(15(3)26-28)24-19(29)13-27-11-9-17(10-12-27)22-23-18-8-6-7-14(2)20(18)25-22/h6-8,17H,5,9-13H2,1-4H3,(H,23,25)(H,24,29)
InChIKeyOFAJIAGINXRWDS-UHFFFAOYSA-N
MW394.52 g/mol
LogP3.52
Rot. Bonds5

About N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-[4-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]acetamide

N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-[4-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]acetamide (PubChem CID 50985043) has the molecular formula C22H30N6O and a molecular weight of 394.52 g/mol. Its IUPAC name is N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-[4-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-[4-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]acetamide
PubChem CID50985043
Molecular FormulaC22H30N6O
Molecular Weight394.52 g/mol
Exact Mass394.25
IUPAC NameN-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-[4-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]acetamide
SMILESCCn1nc(C)c(NC(=O)CN2CCC(c3nc4c(C)cccc4[nH]3)CC2)c1C
InChIInChI=1S/C22H30N6O/c1-5-28-16(4)21(15(3)26-28)24-19(29)13-27-11-9-17(10-12-27)22-23-18-8-6-7-14(2)20(18)25-22/h6-8,17H,5,9-13H2,1-4H3,(H,23,25)(H,24,29)
InChIKeyOFAJIAGINXRWDS-UHFFFAOYSA-N
XLogP3.52
TPSA78.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-2-pyrrolidin-1-ylethanone
CID 70746403
N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-[(3S,4S)-3-hydroxy-4-(hydroxymethyl)piperidin-1-yl]acetamide
CID 133135484
2-(4-hydroxypiperidin-1-yl)-N-[2-(4-methyl-1H-benzimidazol-2-yl)ethyl]acetamide
CID 118796145
2-(3-hydroxypiperidin-1-yl)-1-[4-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]ethanone
CID 72907509
[4-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 70768059
N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
CID 71866668
2-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)acetamide
CID 95851460
[4-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-(6-methyl-3-pyridinyl)methanone
CID 70730737
2-(3,5-dimethylpyrazol-1-yl)-1-[3-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]ethanone
CID 70746246
2-hydroxy-1-[4-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-4-methylsulfanylbutan-1-one
CID 72931914
N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-[(3S)-3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]acetamide
CID 92626417
[4-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone
CID 72907250

Frequently Asked Questions

What is the IUPAC name of N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-[4-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]acetamide?
The IUPAC name of N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-[4-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]acetamide (CID 50985043) is N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-[4-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]acetamide.
What is the SMILES notation for N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-[4-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]acetamide?
The canonical SMILES for N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-[4-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]acetamide is CCn1nc(C)c(NC(=O)CN2CCC(c3nc4c(C)cccc4[nH]3)CC2)c1C.
What is the InChIKey of N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-[4-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]acetamide?
The InChIKey is OFAJIAGINXRWDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N6O/c1-5-28-16(4)21(15(3)26-28)24-19(29)13-27-11-9-17(10-12-27)22-23-18-8-6-7-14(2)20(18)25-22/h6-8,17H,5,9-13H2,1-4H3,(H,23,25)(H,24,29).
What are the key properties of N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-[4-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]acetamide?
N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-[4-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]acetamide has a molecular weight of 394.52 g/mol, XLogP of 3.52, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-[4-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]acetamide is sourced from PubChem (CID 50985043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).