N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-[(3S)-3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]acetamide

C22H30N6O — CID 92626417

IUPACN-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-[(3S)-3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]acetamide
SMILESCCn1nc(C)c(NC(=O)CN2CCC[C@H](c3nc4ccccc4n3C)C2)c1C
InChIInChI=1S/C22H30N6O/c1-5-28-16(3)21(15(2)25-28)24-20(29)14-27-12-8-9-17(13-27)22-23-18-10-6-7-11-19(18)26(22)4/h6-7,10-11,17H,5,8-9,12-14H2,1-4H3,(H,24,29)/t17-/m0/s1
InChIKeyXLDDKOKCJJPZRF-KRWDZBQOSA-N
MW394.52 g/mol
LogP3.22
Rot. Bonds5

About N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-[(3S)-3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]acetamide

N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-[(3S)-3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]acetamide (PubChem CID 92626417) 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-[(3S)-3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-[(3S)-3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]acetamide
PubChem CID92626417
Molecular FormulaC22H30N6O
Molecular Weight394.52 g/mol
Exact Mass394.25
IUPAC NameN-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-[(3S)-3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]acetamide
SMILESCCn1nc(C)c(NC(=O)CN2CCC[C@H](c3nc4ccccc4n3C)C2)c1C
InChIInChI=1S/C22H30N6O/c1-5-28-16(3)21(15(2)25-28)24-20(29)14-27-12-8-9-17(13-27)22-23-18-10-6-7-11-19(18)26(22)4/h6-7,10-11,17H,5,8-9,12-14H2,1-4H3,(H,24,29)/t17-/m0/s1
InChIKeyXLDDKOKCJJPZRF-KRWDZBQOSA-N
XLogP3.22
TPSA67.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(3S)-3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-N-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide
CID 92626423
2-[3-(1-propan-2-ylbenzimidazol-2-yl)piperidin-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 46976995
2-[(3S)-3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-N-(pyridin-2-ylmethyl)acetamide
CID 92626481
N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-[3-(pyridine-2-carbonyl)piperidin-1-yl]acetamide
CID 91832837
N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-[(3S)-3-(pyridine-2-carbonyl)piperidin-1-yl]acetamide
CID 124752283
N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-[(3S)-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]acetamide
CID 95124791
[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone
CID 91946961
1-methyl-2-[1-[2-(3-methyl-1,2,4-triazol-4-yl)ethyl]piperidin-3-yl]benzimidazole
CID 131902621
[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-(4-methylphenyl)methanone
CID 91947140
N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-[(3S,4S)-3-hydroxy-4-(hydroxymethyl)piperidin-1-yl]acetamide
CID 133135484
2-indol-1-yl-1-[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]ethanone
CID 91947010
N-carbamoyl-2-[(3R)-3-(1-propan-2-ylbenzimidazol-2-yl)piperidin-1-yl]acetamide
CID 95321353

Frequently Asked Questions

What is the IUPAC name of N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-[(3S)-3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]acetamide?
The IUPAC name of N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-[(3S)-3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]acetamide (CID 92626417) is N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-[(3S)-3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]acetamide.
What is the SMILES notation for N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-[(3S)-3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]acetamide?
The canonical SMILES for N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-[(3S)-3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]acetamide is CCn1nc(C)c(NC(=O)CN2CCC[C@H](c3nc4ccccc4n3C)C2)c1C.
What is the InChIKey of N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-[(3S)-3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]acetamide?
The InChIKey is XLDDKOKCJJPZRF-KRWDZBQOSA-N. The full InChI is InChI=1S/C22H30N6O/c1-5-28-16(3)21(15(2)25-28)24-20(29)14-27-12-8-9-17(13-27)22-23-18-10-6-7-11-19(18)26(22)4/h6-7,10-11,17H,5,8-9,12-14H2,1-4H3,(H,24,29)/t17-/m0/s1.
What are the key properties of N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-[(3S)-3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]acetamide?
N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-[(3S)-3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]acetamide has a molecular weight of 394.52 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-[(3S)-3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]acetamide is sourced from PubChem (CID 92626417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).