1-[2-(3-fluorophenyl)ethyl]-N-[(1-methylbenzimidazol-2-yl)methyl]-6-oxopiperidine-3-carboxamide

C23H25FN4O2 — CID 24791213

IUPAC1-[2-(3-fluorophenyl)ethyl]-N-[(1-methylbenzimidazol-2-yl)methyl]-6-oxopiperidine-3-carboxamide
SMILESCn1c(CNC(=O)C2CCC(=O)N(CCc3cccc(F)c3)C2)nc2ccccc21
InChIInChI=1S/C23H25FN4O2/c1-27-20-8-3-2-7-19(20)26-21(27)14-25-23(30)17-9-10-22(29)28(15-17)12-11-16-5-4-6-18(24)13-16/h2-8,13,17H,9-12,14-15H2,1H3,(H,25,30)
InChIKeyTWJFUBQZSXTWHD-UHFFFAOYSA-N
MW408.48 g/mol
LogP2.81
Rot. Bonds6

About 1-[2-(3-fluorophenyl)ethyl]-N-[(1-methylbenzimidazol-2-yl)methyl]-6-oxopiperidine-3-carboxamide

1-[2-(3-fluorophenyl)ethyl]-N-[(1-methylbenzimidazol-2-yl)methyl]-6-oxopiperidine-3-carboxamide (PubChem CID 24791213) has the molecular formula C23H25FN4O2 and a molecular weight of 408.48 g/mol. Its IUPAC name is 1-[2-(3-fluorophenyl)ethyl]-N-[(1-methylbenzimidazol-2-yl)methyl]-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound Name1-[2-(3-fluorophenyl)ethyl]-N-[(1-methylbenzimidazol-2-yl)methyl]-6-oxopiperidine-3-carboxamide
PubChem CID24791213
Molecular FormulaC23H25FN4O2
Molecular Weight408.48 g/mol
Exact Mass408.20
IUPAC Name1-[2-(3-fluorophenyl)ethyl]-N-[(1-methylbenzimidazol-2-yl)methyl]-6-oxopiperidine-3-carboxamide
SMILESCn1c(CNC(=O)C2CCC(=O)N(CCc3cccc(F)c3)C2)nc2ccccc21
InChIInChI=1S/C23H25FN4O2/c1-27-20-8-3-2-7-19(20)26-21(27)14-25-23(30)17-9-10-22(29)28(15-17)12-11-16-5-4-6-18(24)13-16/h2-8,13,17H,9-12,14-15H2,1H3,(H,25,30)
InChIKeyTWJFUBQZSXTWHD-UHFFFAOYSA-N
XLogP2.81
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.48
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-fluorophenyl)ethyl]-N-[(1-methylbenzimidazol-2-yl)methyl]-6-oxopiperidine-3-carboxamide?
The IUPAC name of 1-[2-(3-fluorophenyl)ethyl]-N-[(1-methylbenzimidazol-2-yl)methyl]-6-oxopiperidine-3-carboxamide (CID 24791213) is 1-[2-(3-fluorophenyl)ethyl]-N-[(1-methylbenzimidazol-2-yl)methyl]-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for 1-[2-(3-fluorophenyl)ethyl]-N-[(1-methylbenzimidazol-2-yl)methyl]-6-oxopiperidine-3-carboxamide?
The canonical SMILES for 1-[2-(3-fluorophenyl)ethyl]-N-[(1-methylbenzimidazol-2-yl)methyl]-6-oxopiperidine-3-carboxamide is Cn1c(CNC(=O)C2CCC(=O)N(CCc3cccc(F)c3)C2)nc2ccccc21.
What is the InChIKey of 1-[2-(3-fluorophenyl)ethyl]-N-[(1-methylbenzimidazol-2-yl)methyl]-6-oxopiperidine-3-carboxamide?
The InChIKey is TWJFUBQZSXTWHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN4O2/c1-27-20-8-3-2-7-19(20)26-21(27)14-25-23(30)17-9-10-22(29)28(15-17)12-11-16-5-4-6-18(24)13-16/h2-8,13,17H,9-12,14-15H2,1H3,(H,25,30).
What are the key properties of 1-[2-(3-fluorophenyl)ethyl]-N-[(1-methylbenzimidazol-2-yl)methyl]-6-oxopiperidine-3-carboxamide?
1-[2-(3-fluorophenyl)ethyl]-N-[(1-methylbenzimidazol-2-yl)methyl]-6-oxopiperidine-3-carboxamide has a molecular weight of 408.48 g/mol, XLogP of 2.81, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-fluorophenyl)ethyl]-N-[(1-methylbenzimidazol-2-yl)methyl]-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 24791213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).