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

C20H26N6O — CID 93242219

IUPAC2-[(3S)-3-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]-N-(1,5-dimethylpyrazol-4-yl)acetamide
SMILESCc1c(NC(=O)CN2CCC[C@@H](Cc3nc4ccccc4[nH]3)C2)cnn1C
InChIInChI=1S/C20H26N6O/c1-14-18(11-21-25(14)2)24-20(27)13-26-9-5-6-15(12-26)10-19-22-16-7-3-4-8-17(16)23-19/h3-4,7-8,11,15H,5-6,9-10,12-13H2,1-2H3,(H,22,23)(H,24,27)/t15-/m0/s1
InChIKeyBHYUMCIYLQAAHW-HNNXBMFYSA-N
MW366.47 g/mol
LogP2.50
Rot. Bonds5

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

2-[(3S)-3-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]-N-(1,5-dimethylpyrazol-4-yl)acetamide (PubChem CID 93242219) has the molecular formula C20H26N6O and a molecular weight of 366.47 g/mol. Its IUPAC name is 2-[(3S)-3-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]-N-(1,5-dimethylpyrazol-4-yl)acetamide.

Molecular Properties

Compound Name2-[(3S)-3-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]-N-(1,5-dimethylpyrazol-4-yl)acetamide
PubChem CID93242219
Molecular FormulaC20H26N6O
Molecular Weight366.47 g/mol
Exact Mass366.22
IUPAC Name2-[(3S)-3-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]-N-(1,5-dimethylpyrazol-4-yl)acetamide
SMILESCc1c(NC(=O)CN2CCC[C@@H](Cc3nc4ccccc4[nH]3)C2)cnn1C
InChIInChI=1S/C20H26N6O/c1-14-18(11-21-25(14)2)24-20(27)13-26-9-5-6-15(12-26)10-19-22-16-7-3-4-8-17(16)23-19/h3-4,7-8,11,15H,5-6,9-10,12-13H2,1-2H3,(H,22,23)(H,24,27)/t15-/m0/s1
InChIKeyBHYUMCIYLQAAHW-HNNXBMFYSA-N
XLogP2.50
TPSA78.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]-N-(1-ethyl-3-methylpyrazol-4-yl)acetamide
CID 46980656
N-[[(3R)-1-[2-[(1,5-dimethylpyrazol-4-yl)amino]-2-oxoethyl]piperidin-3-yl]methyl]-4-fluorobenzamide
CID 97283723
2-[[1-(1H-benzimidazol-2-ylmethyl)piperidin-3-yl]methyl]-1H-benzimidazole
CID 46981222
2-[[1-[2-(4-chloropyrazol-1-yl)ethyl]piperidin-3-yl]methyl]-1H-benzimidazole
CID 91837439
5-[[(3S)-3-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]methyl]-2-methyl-1,3-thiazole
CID 92628816
4-[2-[(3S)-3-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]acetyl]-1,3-dihydroquinoxalin-2-one
CID 93242478
2-[[(3S)-3-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]methyl]-1-methylbenzimidazole
CID 93242524
5-[3-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]-1-methyl-1,2,4-triazole-3-carboxylic acid
CID 146041840
2-[[3-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]methyl]-1,3-oxazole-4-carboxylic acid
CID 134702211
1-[2-[3-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]-4-methylpyrimidin-5-yl]ethanone
CID 72870241
3-[3-[(6-fluoro-1H-benzimidazol-2-yl)methyl]piperidin-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 46976867
2-[4-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]-N-carbamoylacetamide
CID 122155584

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-3-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]-N-(1,5-dimethylpyrazol-4-yl)acetamide?
The IUPAC name of 2-[(3S)-3-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]-N-(1,5-dimethylpyrazol-4-yl)acetamide (CID 93242219) is 2-[(3S)-3-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]-N-(1,5-dimethylpyrazol-4-yl)acetamide.
What is the SMILES notation for 2-[(3S)-3-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]-N-(1,5-dimethylpyrazol-4-yl)acetamide?
The canonical SMILES for 2-[(3S)-3-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]-N-(1,5-dimethylpyrazol-4-yl)acetamide is Cc1c(NC(=O)CN2CCC[C@@H](Cc3nc4ccccc4[nH]3)C2)cnn1C.
What is the InChIKey of 2-[(3S)-3-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]-N-(1,5-dimethylpyrazol-4-yl)acetamide?
The InChIKey is BHYUMCIYLQAAHW-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H26N6O/c1-14-18(11-21-25(14)2)24-20(27)13-26-9-5-6-15(12-26)10-19-22-16-7-3-4-8-17(16)23-19/h3-4,7-8,11,15H,5-6,9-10,12-13H2,1-2H3,(H,22,23)(H,24,27)/t15-/m0/s1.
What are the key properties of 2-[(3S)-3-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]-N-(1,5-dimethylpyrazol-4-yl)acetamide?
2-[(3S)-3-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]-N-(1,5-dimethylpyrazol-4-yl)acetamide has a molecular weight of 366.47 g/mol, XLogP of 2.50, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-3-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]-N-(1,5-dimethylpyrazol-4-yl)acetamide is sourced from PubChem (CID 93242219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).