2-[(3S)-3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-N-(pyridin-2-ylmethyl)acetamide

C21H25N5O — CID 92626481

IUPAC2-[(3S)-3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-N-(pyridin-2-ylmethyl)acetamide
SMILESCn1c([C@H]2CCCN(CC(=O)NCc3ccccn3)C2)nc2ccccc21
InChIInChI=1S/C21H25N5O/c1-25-19-10-3-2-9-18(19)24-21(25)16-7-6-12-26(14-16)15-20(27)23-13-17-8-4-5-11-22-17/h2-5,8-11,16H,6-7,12-15H2,1H3,(H,23,27)/t16-/m0/s1
InChIKeyKEIKFQMQWUFFOY-INIZCTEOSA-N
MW363.47 g/mol
LogP2.46
Rot. Bonds5

About 2-[(3S)-3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-N-(pyridin-2-ylmethyl)acetamide

2-[(3S)-3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-N-(pyridin-2-ylmethyl)acetamide (PubChem CID 92626481) has the molecular formula C21H25N5O and a molecular weight of 363.47 g/mol. Its IUPAC name is 2-[(3S)-3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-N-(pyridin-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[(3S)-3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-N-(pyridin-2-ylmethyl)acetamide
PubChem CID92626481
Molecular FormulaC21H25N5O
Molecular Weight363.47 g/mol
Exact Mass363.21
IUPAC Name2-[(3S)-3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-N-(pyridin-2-ylmethyl)acetamide
SMILESCn1c([C@H]2CCCN(CC(=O)NCc3ccccn3)C2)nc2ccccc21
InChIInChI=1S/C21H25N5O/c1-25-19-10-3-2-9-18(19)24-21(25)16-7-6-12-26(14-16)15-20(27)23-13-17-8-4-5-11-22-17/h2-5,8-11,16H,6-7,12-15H2,1H3,(H,23,27)/t16-/m0/s1
InChIKeyKEIKFQMQWUFFOY-INIZCTEOSA-N
XLogP2.46
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.47
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-methylpiperidin-1-yl)-N-(pyridin-2-ylmethyl)acetamide
CID 108999232
2-[(3S)-3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-N-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide
CID 92626423
[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-pyridin-2-ylmethanone
CID 91947190
N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-[(3S)-3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]acetamide
CID 92626417
2-(6-hydroxy-4-propyl-1,4-diazepan-1-yl)-N-(pyridin-2-ylmethyl)acetamide
CID 74242130
2-[(3R)-3-[[(2R)-2-methylpiperidin-1-yl]methyl]piperidin-1-yl]-N-(pyridin-2-ylmethyl)acetamide
CID 95626413
2-[(3S)-3-[2-(dimethylamino)-5-(4-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]-N-(pyridin-2-ylmethyl)acetamide
CID 92617482
1-methyl-2-[(2S)-1-(pyridin-2-ylmethyl)pyrrolidin-2-yl]benzimidazole
CID 95723533
N-carbamoyl-2-[(3R)-3-(1-propan-2-ylbenzimidazol-2-yl)piperidin-1-yl]acetamide
CID 95321353
N-[2-[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-2-oxoethyl]cyclopropanecarboxamide
CID 91947054
2-(4-aminopiperidin-1-yl)-N-(pyridin-2-ylmethyl)acetamide
CID 79333901
2-[3-[4-[(3-chlorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-N-(pyridin-2-ylmethyl)acetamide
CID 110252623

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-N-(pyridin-2-ylmethyl)acetamide?
The IUPAC name of 2-[(3S)-3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-N-(pyridin-2-ylmethyl)acetamide (CID 92626481) is 2-[(3S)-3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-N-(pyridin-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[(3S)-3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-N-(pyridin-2-ylmethyl)acetamide?
The canonical SMILES for 2-[(3S)-3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-N-(pyridin-2-ylmethyl)acetamide is Cn1c([C@H]2CCCN(CC(=O)NCc3ccccn3)C2)nc2ccccc21.
What is the InChIKey of 2-[(3S)-3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-N-(pyridin-2-ylmethyl)acetamide?
The InChIKey is KEIKFQMQWUFFOY-INIZCTEOSA-N. The full InChI is InChI=1S/C21H25N5O/c1-25-19-10-3-2-9-18(19)24-21(25)16-7-6-12-26(14-16)15-20(27)23-13-17-8-4-5-11-22-17/h2-5,8-11,16H,6-7,12-15H2,1H3,(H,23,27)/t16-/m0/s1.
What are the key properties of 2-[(3S)-3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-N-(pyridin-2-ylmethyl)acetamide?
2-[(3S)-3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-N-(pyridin-2-ylmethyl)acetamide has a molecular weight of 363.47 g/mol, XLogP of 2.46, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-N-(pyridin-2-ylmethyl)acetamide is sourced from PubChem (CID 92626481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).