3-[(2R)-2-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]-N-pyridin-3-ylpropanamide

C20H22FN5O — CID 124751878

IUPAC3-[(2R)-2-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]-N-pyridin-3-ylpropanamide
SMILESO=C(CCN1CCCC[C@@H]1c1nc2ccc(F)cc2[nH]1)Nc1cccnc1
InChIInChI=1S/C20H22FN5O/c21-14-6-7-16-17(12-14)25-20(24-16)18-5-1-2-10-26(18)11-8-19(27)23-15-4-3-9-22-13-15/h3-4,6-7,9,12-13,18H,1-2,5,8,10-11H2,(H,23,27)(H,24,25)/t18-/m1/s1
InChIKeyHWNGDJCNJJGPKA-GOSISDBHSA-N
MW367.43 g/mol
LogP3.65
Rot. Bonds5

About 3-[(2R)-2-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]-N-pyridin-3-ylpropanamide

3-[(2R)-2-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]-N-pyridin-3-ylpropanamide (PubChem CID 124751878) has the molecular formula C20H22FN5O and a molecular weight of 367.43 g/mol. Its IUPAC name is 3-[(2R)-2-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]-N-pyridin-3-ylpropanamide.

Molecular Properties

Compound Name3-[(2R)-2-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]-N-pyridin-3-ylpropanamide
PubChem CID124751878
Molecular FormulaC20H22FN5O
Molecular Weight367.43 g/mol
Exact Mass367.18
IUPAC Name3-[(2R)-2-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]-N-pyridin-3-ylpropanamide
SMILESO=C(CCN1CCCC[C@@H]1c1nc2ccc(F)cc2[nH]1)Nc1cccnc1
InChIInChI=1S/C20H22FN5O/c21-14-6-7-16-17(12-14)25-20(24-16)18-5-1-2-10-26(18)11-8-19(27)23-15-4-3-9-22-13-15/h3-4,6-7,9,12-13,18H,1-2,5,8,10-11H2,(H,23,27)(H,24,25)/t18-/m1/s1
InChIKeyHWNGDJCNJJGPKA-GOSISDBHSA-N
XLogP3.65
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.43
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]-N-pyridin-3-ylpropanamide
CID 91831128
2-[(2R)-2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-N-(pyridin-2-ylmethyl)acetamide
CID 95714244
6-fluoro-2-[1-(1H-imidazol-5-ylmethyl)pyrrolidin-2-yl]-1H-benzimidazole
CID 70716486
1-[2-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]-4-pyrazol-1-ylbutan-1-one
CID 70779196
3-[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-N-(2-methoxyphenyl)propanamide
CID 124754771
2-[(2R)-1-[2-(4-chloropyrazol-1-yl)ethyl]pyrrolidin-2-yl]-6-fluoro-1H-benzimidazole
CID 124752580
N-pyridin-3-yl-3-[(2R)-2-(2-pyridin-2-ylethyl)piperidin-1-yl]propanamide
CID 124756224
1-[(2R)-2-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]-2-pyridin-4-ylsulfanylethanone
CID 99945467
[(2R)-2-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]-(2-methylsulfanyl-3-pyridinyl)methanone
CID 95896268
3-[(2S)-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-N-pyridin-3-ylpropanamide
CID 134714083
3-[[2-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]methyl]-N-methyl-1,2,4-oxadiazole-5-carboxamide
CID 56900944
[2-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]-pyrazolo[1,5-a]pyrimidin-3-ylmethanone
CID 70710800

Frequently Asked Questions

What is the IUPAC name of 3-[(2R)-2-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]-N-pyridin-3-ylpropanamide?
The IUPAC name of 3-[(2R)-2-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]-N-pyridin-3-ylpropanamide (CID 124751878) is 3-[(2R)-2-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]-N-pyridin-3-ylpropanamide.
What is the SMILES notation for 3-[(2R)-2-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]-N-pyridin-3-ylpropanamide?
The canonical SMILES for 3-[(2R)-2-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]-N-pyridin-3-ylpropanamide is O=C(CCN1CCCC[C@@H]1c1nc2ccc(F)cc2[nH]1)Nc1cccnc1.
What is the InChIKey of 3-[(2R)-2-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]-N-pyridin-3-ylpropanamide?
The InChIKey is HWNGDJCNJJGPKA-GOSISDBHSA-N. The full InChI is InChI=1S/C20H22FN5O/c21-14-6-7-16-17(12-14)25-20(24-16)18-5-1-2-10-26(18)11-8-19(27)23-15-4-3-9-22-13-15/h3-4,6-7,9,12-13,18H,1-2,5,8,10-11H2,(H,23,27)(H,24,25)/t18-/m1/s1.
What are the key properties of 3-[(2R)-2-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]-N-pyridin-3-ylpropanamide?
3-[(2R)-2-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]-N-pyridin-3-ylpropanamide has a molecular weight of 367.43 g/mol, XLogP of 3.65, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R)-2-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]-N-pyridin-3-ylpropanamide is sourced from PubChem (CID 124751878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).