1-(4-fluorobenzoyl)-N-[(1-methylbenzimidazol-2-yl)methyl]piperidine-3-carboxamide

C22H23FN4O2 — CID 55454693

IUPAC1-(4-fluorobenzoyl)-N-[(1-methylbenzimidazol-2-yl)methyl]piperidine-3-carboxamide
SMILESCn1c(CNC(=O)C2CCCN(C(=O)c3ccc(F)cc3)C2)nc2ccccc21
InChIInChI=1S/C22H23FN4O2/c1-26-19-7-3-2-6-18(19)25-20(26)13-24-21(28)16-5-4-12-27(14-16)22(29)15-8-10-17(23)11-9-15/h2-3,6-11,16H,4-5,12-14H2,1H3,(H,24,28)
InChIKeyCYWJBJNJDDOTDL-UHFFFAOYSA-N
MW394.45 g/mol
LogP2.88
Rot. Bonds4

About 1-(4-fluorobenzoyl)-N-[(1-methylbenzimidazol-2-yl)methyl]piperidine-3-carboxamide

1-(4-fluorobenzoyl)-N-[(1-methylbenzimidazol-2-yl)methyl]piperidine-3-carboxamide (PubChem CID 55454693) has the molecular formula C22H23FN4O2 and a molecular weight of 394.45 g/mol. Its IUPAC name is 1-(4-fluorobenzoyl)-N-[(1-methylbenzimidazol-2-yl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-fluorobenzoyl)-N-[(1-methylbenzimidazol-2-yl)methyl]piperidine-3-carboxamide
PubChem CID55454693
Molecular FormulaC22H23FN4O2
Molecular Weight394.45 g/mol
Exact Mass394.18
IUPAC Name1-(4-fluorobenzoyl)-N-[(1-methylbenzimidazol-2-yl)methyl]piperidine-3-carboxamide
SMILESCn1c(CNC(=O)C2CCCN(C(=O)c3ccc(F)cc3)C2)nc2ccccc21
InChIInChI=1S/C22H23FN4O2/c1-26-19-7-3-2-6-18(19)25-20(26)13-24-21(28)16-5-4-12-27(14-16)22(29)15-8-10-17(23)11-9-15/h2-3,6-11,16H,4-5,12-14H2,1H3,(H,24,28)
InChIKeyCYWJBJNJDDOTDL-UHFFFAOYSA-N
XLogP2.88
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.45
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzoyl-N-[(1-methylbenzimidazol-2-yl)methyl]-4-oxo-1,5-diazacycloundecane-8-carboxamide
CID 110200066
1-(4-fluorobenzoyl)-N-[(6-methyl-2-pyridinyl)methyl]piperidine-3-carboxamide
CID 87041460
1-(4-fluorobenzoyl)-N-[(2-methoxynaphthalen-1-yl)methyl]piperidine-3-carboxamide
CID 55567061
1-(4-fluorobenzoyl)-N-[[2-(methoxymethyl)phenyl]methyl]piperidine-3-carboxamide
CID 134023186
1-(4-fluorobenzoyl)-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]piperidine-3-carboxamide
CID 56517800
1-(4-fluorobenzoyl)-N-[(4-methyl-1,3-oxazol-5-yl)methyl]piperidine-3-carboxamide
CID 136545141
1-(4-fluorobenzoyl)-N-(furan-2-ylmethyl)piperidine-3-carboxamide
CID 18103397
N-[3-(1-methylbenzimidazol-2-yl)propyl]-1-propanoylpiperidine-3-carboxamide
CID 72904958
1-(4-fluorobenzoyl)-N-methylpiperidine-3-carboxamide
CID 47128312
2-[[[1-(4-fluorobenzoyl)piperidine-3-carbonyl]amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 119244732
1-(4-fluorobenzoyl)-N-[(4-pyrrolidin-1-ylphenyl)methyl]piperidine-3-carboxamide
CID 55657080
3-amino-N-[(1-methylbenzimidazol-2-yl)methyl]cyclohexane-1-carboxamide;dihydrochloride
CID 119834834

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorobenzoyl)-N-[(1-methylbenzimidazol-2-yl)methyl]piperidine-3-carboxamide?
The IUPAC name of 1-(4-fluorobenzoyl)-N-[(1-methylbenzimidazol-2-yl)methyl]piperidine-3-carboxamide (CID 55454693) is 1-(4-fluorobenzoyl)-N-[(1-methylbenzimidazol-2-yl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-(4-fluorobenzoyl)-N-[(1-methylbenzimidazol-2-yl)methyl]piperidine-3-carboxamide?
The canonical SMILES for 1-(4-fluorobenzoyl)-N-[(1-methylbenzimidazol-2-yl)methyl]piperidine-3-carboxamide is Cn1c(CNC(=O)C2CCCN(C(=O)c3ccc(F)cc3)C2)nc2ccccc21.
What is the InChIKey of 1-(4-fluorobenzoyl)-N-[(1-methylbenzimidazol-2-yl)methyl]piperidine-3-carboxamide?
The InChIKey is CYWJBJNJDDOTDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN4O2/c1-26-19-7-3-2-6-18(19)25-20(26)13-24-21(28)16-5-4-12-27(14-16)22(29)15-8-10-17(23)11-9-15/h2-3,6-11,16H,4-5,12-14H2,1H3,(H,24,28).
What are the key properties of 1-(4-fluorobenzoyl)-N-[(1-methylbenzimidazol-2-yl)methyl]piperidine-3-carboxamide?
1-(4-fluorobenzoyl)-N-[(1-methylbenzimidazol-2-yl)methyl]piperidine-3-carboxamide has a molecular weight of 394.45 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorobenzoyl)-N-[(1-methylbenzimidazol-2-yl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 55454693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).