1-(4-fluorobenzoyl)-N-[(6-methyl-1H-benzimidazol-2-yl)methyl]piperidine-4-carboxamide

C22H23FN4O2 — CID 131913033

IUPAC1-(4-fluorobenzoyl)-N-[(6-methyl-1H-benzimidazol-2-yl)methyl]piperidine-4-carboxamide
SMILESCc1ccc2nc(CNC(=O)C3CCN(C(=O)c4ccc(F)cc4)CC3)[nH]c2c1
InChIInChI=1S/C22H23FN4O2/c1-14-2-7-18-19(12-14)26-20(25-18)13-24-21(28)15-8-10-27(11-9-15)22(29)16-3-5-17(23)6-4-16/h2-7,12,15H,8-11,13H2,1H3,(H,24,28)(H,25,26)
InChIKeyNXVKZUMCTZKYJB-UHFFFAOYSA-N
MW394.45 g/mol
LogP3.18
Rot. Bonds4

About 1-(4-fluorobenzoyl)-N-[(6-methyl-1H-benzimidazol-2-yl)methyl]piperidine-4-carboxamide

1-(4-fluorobenzoyl)-N-[(6-methyl-1H-benzimidazol-2-yl)methyl]piperidine-4-carboxamide (PubChem CID 131913033) has the molecular formula C22H23FN4O2 and a molecular weight of 394.45 g/mol. Its IUPAC name is 1-(4-fluorobenzoyl)-N-[(6-methyl-1H-benzimidazol-2-yl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(4-fluorobenzoyl)-N-[(6-methyl-1H-benzimidazol-2-yl)methyl]piperidine-4-carboxamide
PubChem CID131913033
Molecular FormulaC22H23FN4O2
Molecular Weight394.45 g/mol
Exact Mass394.18
IUPAC Name1-(4-fluorobenzoyl)-N-[(6-methyl-1H-benzimidazol-2-yl)methyl]piperidine-4-carboxamide
SMILESCc1ccc2nc(CNC(=O)C3CCN(C(=O)c4ccc(F)cc4)CC3)[nH]c2c1
InChIInChI=1S/C22H23FN4O2/c1-14-2-7-18-19(12-14)26-20(25-18)13-24-21(28)15-8-10-27(11-9-15)22(29)16-3-5-17(23)6-4-16/h2-7,12,15H,8-11,13H2,1H3,(H,24,28)(H,25,26)
InChIKeyNXVKZUMCTZKYJB-UHFFFAOYSA-N
XLogP3.18
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.45
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-fluorophenyl)methyl]-1-[4-[[[6-methyl-2-(propylamino)quinazolin-4-yl]amino]methyl]benzoyl]piperidine-4-carboxamide
CID 56953680
N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]pyrrolidine-3-carboxamide;dihydrochloride
CID 119885405
N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carboxamide
CID 154839872
1-(4-fluorobenzoyl)-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]piperidine-4-carboxamide
CID 131891851
N-[(6-methyl-1H-benzimidazol-2-yl)methyl]benzamide
CID 924710
2-[(6-methyl-1H-benzimidazol-2-yl)methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 119185454
4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[(6-methyl-1H-benzimidazol-2-yl)methyl]benzamide
CID 50828677
3-amino-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]cyclopentane-1-carboxamide
CID 119885363
cis-(1S,3R)-3-amino-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]cyclopentane-1-carboxamide
CID 122564449
1-(4-fluorobenzoyl)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]piperidine-4-carboxamide
CID 17497247
4-[(1S)-1-hydroxy-3-methylbutyl]-N-[(6-methyl-1H-benzimidazol-2-yl)methyl]piperidine-1-carboxamide
CID 126440237
N-[(6-methyl-1H-benzimidazol-2-yl)methyl]-1-[[3-methyl-5-[(E)-2-(4-methylphenyl)ethenyl]-1,2-oxazol-4-yl]sulfonyl]piperidine-4-carboxamide
CID 46351515

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorobenzoyl)-N-[(6-methyl-1H-benzimidazol-2-yl)methyl]piperidine-4-carboxamide?
The IUPAC name of 1-(4-fluorobenzoyl)-N-[(6-methyl-1H-benzimidazol-2-yl)methyl]piperidine-4-carboxamide (CID 131913033) is 1-(4-fluorobenzoyl)-N-[(6-methyl-1H-benzimidazol-2-yl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(4-fluorobenzoyl)-N-[(6-methyl-1H-benzimidazol-2-yl)methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(4-fluorobenzoyl)-N-[(6-methyl-1H-benzimidazol-2-yl)methyl]piperidine-4-carboxamide is Cc1ccc2nc(CNC(=O)C3CCN(C(=O)c4ccc(F)cc4)CC3)[nH]c2c1.
What is the InChIKey of 1-(4-fluorobenzoyl)-N-[(6-methyl-1H-benzimidazol-2-yl)methyl]piperidine-4-carboxamide?
The InChIKey is NXVKZUMCTZKYJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN4O2/c1-14-2-7-18-19(12-14)26-20(25-18)13-24-21(28)15-8-10-27(11-9-15)22(29)16-3-5-17(23)6-4-16/h2-7,12,15H,8-11,13H2,1H3,(H,24,28)(H,25,26).
What are the key properties of 1-(4-fluorobenzoyl)-N-[(6-methyl-1H-benzimidazol-2-yl)methyl]piperidine-4-carboxamide?
1-(4-fluorobenzoyl)-N-[(6-methyl-1H-benzimidazol-2-yl)methyl]piperidine-4-carboxamide has a molecular weight of 394.45 g/mol, XLogP of 3.18, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorobenzoyl)-N-[(6-methyl-1H-benzimidazol-2-yl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 131913033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).