N-[(3-hydroxy-1-pyridin-2-ylpiperidin-3-yl)methyl]-4-[2-(trifluoromethyl)benzimidazol-1-yl]butanamide

C23H26F3N5O2 — CID 155989766

IUPACN-[(3-hydroxy-1-pyridin-2-ylpiperidin-3-yl)methyl]-4-[2-(trifluoromethyl)benzimidazol-1-yl]butanamide
SMILESO=C(CCCn1c(C(F)(F)F)nc2ccccc21)NCC1(O)CCCN(c2ccccn2)C1
InChIInChI=1S/C23H26F3N5O2/c24-23(25,26)21-29-17-7-1-2-8-18(17)31(21)14-5-10-20(32)28-15-22(33)11-6-13-30(16-22)19-9-3-4-12-27-19/h1-4,7-9,12,33H,5-6,10-11,13-16H2,(H,28,32)
InChIKeyJLZNJQJPEXAGHB-UHFFFAOYSA-N
MW461.49 g/mol
LogP3.38
Rot. Bonds7

About N-[(3-hydroxy-1-pyridin-2-ylpiperidin-3-yl)methyl]-4-[2-(trifluoromethyl)benzimidazol-1-yl]butanamide

N-[(3-hydroxy-1-pyridin-2-ylpiperidin-3-yl)methyl]-4-[2-(trifluoromethyl)benzimidazol-1-yl]butanamide (PubChem CID 155989766) has the molecular formula C23H26F3N5O2 and a molecular weight of 461.49 g/mol. Its IUPAC name is N-[(3-hydroxy-1-pyridin-2-ylpiperidin-3-yl)methyl]-4-[2-(trifluoromethyl)benzimidazol-1-yl]butanamide.

Molecular Properties

Compound NameN-[(3-hydroxy-1-pyridin-2-ylpiperidin-3-yl)methyl]-4-[2-(trifluoromethyl)benzimidazol-1-yl]butanamide
PubChem CID155989766
Molecular FormulaC23H26F3N5O2
Molecular Weight461.49 g/mol
Exact Mass461.20
IUPAC NameN-[(3-hydroxy-1-pyridin-2-ylpiperidin-3-yl)methyl]-4-[2-(trifluoromethyl)benzimidazol-1-yl]butanamide
SMILESO=C(CCCn1c(C(F)(F)F)nc2ccccc21)NCC1(O)CCCN(c2ccccn2)C1
InChIInChI=1S/C23H26F3N5O2/c24-23(25,26)21-29-17-7-1-2-8-18(17)31(21)14-5-10-20(32)28-15-22(33)11-6-13-30(16-22)19-9-3-4-12-27-19/h1-4,7-9,12,33H,5-6,10-11,13-16H2,(H,28,32)
InChIKeyJLZNJQJPEXAGHB-UHFFFAOYSA-N
XLogP3.38
TPSA83.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.49
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(3-hydroxy-1-pyridin-2-ylpiperidin-3-yl)methyl]-4-pyrazol-1-ylbutanamide
CID 110124102
N-[[3-hydroxy-1-(6-methylpyrimidin-4-yl)piperidin-3-yl]methyl]-4-(2-methylbenzimidazol-1-yl)butanamide
CID 155989790
N-[[1-(5-fluoro-2-pyridinyl)-3-hydroxypiperidin-3-yl]methyl]-3-(2-methylbenzimidazol-1-yl)propanamide
CID 155989847
4-(1-ethylbenzimidazol-2-yl)-N-[[1-(5-fluoro-2-pyridinyl)-3-hydroxypiperidin-3-yl]methyl]butanamide
CID 155989842
N-[[(3R)-3-hydroxy-1-pyridin-2-ylpiperidin-3-yl]methyl]-3-thiophen-2-ylpropanamide
CID 124940666
N-[(3-hydroxy-1-pyridin-2-ylpiperidin-3-yl)methyl]-2-(2,5,6-trimethylbenzimidazol-1-yl)acetamide
CID 155989763
N-[(3-hydroxy-1-pyridin-2-ylpiperidin-3-yl)methyl]-1-methylpyrazole-3-carboxamide
CID 110124043
N-[(3-hydroxy-1-pyridin-2-ylpiperidin-3-yl)methyl]-2-[(6-methyl-1H-benzimidazol-2-yl)methoxy]acetamide
CID 155989762
methyl 4-[2-(trifluoromethyl)benzimidazol-1-yl]butanoate
CID 56791848
N-[[(3S)-3-hydroxy-1-pyridin-2-ylpiperidin-3-yl]methyl]-2-methyl-1,3-oxazole-4-carboxamide
CID 125011518
N-[[(3S)-3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl]methyl]-4-imidazol-1-ylbutanamide
CID 124965049
N-[(3-hydroxy-1-pyridin-2-ylpyrrolidin-3-yl)methyl]-3-thiophen-2-ylpropanamide
CID 110124213

Frequently Asked Questions

What is the IUPAC name of N-[(3-hydroxy-1-pyridin-2-ylpiperidin-3-yl)methyl]-4-[2-(trifluoromethyl)benzimidazol-1-yl]butanamide?
The IUPAC name of N-[(3-hydroxy-1-pyridin-2-ylpiperidin-3-yl)methyl]-4-[2-(trifluoromethyl)benzimidazol-1-yl]butanamide (CID 155989766) is N-[(3-hydroxy-1-pyridin-2-ylpiperidin-3-yl)methyl]-4-[2-(trifluoromethyl)benzimidazol-1-yl]butanamide.
What is the SMILES notation for N-[(3-hydroxy-1-pyridin-2-ylpiperidin-3-yl)methyl]-4-[2-(trifluoromethyl)benzimidazol-1-yl]butanamide?
The canonical SMILES for N-[(3-hydroxy-1-pyridin-2-ylpiperidin-3-yl)methyl]-4-[2-(trifluoromethyl)benzimidazol-1-yl]butanamide is O=C(CCCn1c(C(F)(F)F)nc2ccccc21)NCC1(O)CCCN(c2ccccn2)C1.
What is the InChIKey of N-[(3-hydroxy-1-pyridin-2-ylpiperidin-3-yl)methyl]-4-[2-(trifluoromethyl)benzimidazol-1-yl]butanamide?
The InChIKey is JLZNJQJPEXAGHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26F3N5O2/c24-23(25,26)21-29-17-7-1-2-8-18(17)31(21)14-5-10-20(32)28-15-22(33)11-6-13-30(16-22)19-9-3-4-12-27-19/h1-4,7-9,12,33H,5-6,10-11,13-16H2,(H,28,32).
What are the key properties of N-[(3-hydroxy-1-pyridin-2-ylpiperidin-3-yl)methyl]-4-[2-(trifluoromethyl)benzimidazol-1-yl]butanamide?
N-[(3-hydroxy-1-pyridin-2-ylpiperidin-3-yl)methyl]-4-[2-(trifluoromethyl)benzimidazol-1-yl]butanamide has a molecular weight of 461.49 g/mol, XLogP of 3.38, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-hydroxy-1-pyridin-2-ylpiperidin-3-yl)methyl]-4-[2-(trifluoromethyl)benzimidazol-1-yl]butanamide is sourced from PubChem (CID 155989766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).