N-[2-[1-[(2-fluorophenyl)carbamoyl]piperidin-4-yl]ethyl]-3H-benzimidazole-5-carboxamide

C22H24FN5O2 — CID 91911279

IUPACN-[2-[1-[(2-fluorophenyl)carbamoyl]piperidin-4-yl]ethyl]-3H-benzimidazole-5-carboxamide
SMILESO=C(NCCC1CCN(C(=O)Nc2ccccc2F)CC1)c1ccc2nc[nH]c2c1
InChIInChI=1S/C22H24FN5O2/c23-17-3-1-2-4-18(17)27-22(30)28-11-8-15(9-12-28)7-10-24-21(29)16-5-6-19-20(13-16)26-14-25-19/h1-6,13-15H,7-12H2,(H,24,29)(H,25,26)(H,27,30)
InChIKeyTWJVFCYYROCPSZ-UHFFFAOYSA-N
MW409.47 g/mol
LogP3.77
Rot. Bonds5

About N-[2-[1-[(2-fluorophenyl)carbamoyl]piperidin-4-yl]ethyl]-3H-benzimidazole-5-carboxamide

N-[2-[1-[(2-fluorophenyl)carbamoyl]piperidin-4-yl]ethyl]-3H-benzimidazole-5-carboxamide (PubChem CID 91911279) has the molecular formula C22H24FN5O2 and a molecular weight of 409.47 g/mol. Its IUPAC name is N-[2-[1-[(2-fluorophenyl)carbamoyl]piperidin-4-yl]ethyl]-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-[1-[(2-fluorophenyl)carbamoyl]piperidin-4-yl]ethyl]-3H-benzimidazole-5-carboxamide
PubChem CID91911279
Molecular FormulaC22H24FN5O2
Molecular Weight409.47 g/mol
Exact Mass409.19
IUPAC NameN-[2-[1-[(2-fluorophenyl)carbamoyl]piperidin-4-yl]ethyl]-3H-benzimidazole-5-carboxamide
SMILESO=C(NCCC1CCN(C(=O)Nc2ccccc2F)CC1)c1ccc2nc[nH]c2c1
InChIInChI=1S/C22H24FN5O2/c23-17-3-1-2-4-18(17)27-22(30)28-11-8-15(9-12-28)7-10-24-21(29)16-5-6-19-20(13-16)26-14-25-19/h1-6,13-15H,7-12H2,(H,24,29)(H,25,26)(H,27,30)
InChIKeyTWJVFCYYROCPSZ-UHFFFAOYSA-N
XLogP3.77
TPSA90.12 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.47
LogP ≤ 53.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-hydroxycyclohexyl)ethyl]-3H-benzimidazole-5-carboxamide
CID 162475309
4-[2-[(3-methylbenzoyl)amino]ethyl]-N-(2-methylphenyl)piperidine-1-carboxamide
CID 91903569
4-[2-[(3-fluorobenzoyl)amino]ethyl]-N-(3-fluorophenyl)piperidine-1-carboxamide
CID 91903544
N-(2-fluorophenyl)-4-[2-[(1-phenylcyclopropanecarbonyl)amino]ethyl]piperidine-1-carboxamide
CID 91903548
N-[1-(propylcarbamoyl)piperidin-4-yl]-3H-benzimidazole-5-carboxamide
CID 110821957
N-(2-fluorophenyl)-4-[2-[[2-(4-methylphenoxy)acetyl]amino]ethyl]piperidine-1-carboxamide
CID 91903601
4-[2-[[2-(2-fluorophenyl)acetyl]amino]ethyl]-N-(2-methylphenyl)piperidine-1-carboxamide
CID 91913268
N-[[1-(3H-benzimidazole-5-carbonyl)piperidin-4-yl]methyl]-2,2,2-trifluoroacetamide
CID 108932762
N-[2-[(2,3,4-trifluorobenzoyl)amino]ethyl]-3H-benzimidazole-5-carboxamide
CID 108542173
N-(2-fluorophenyl)-3-(2-hydroxyethyl)pyrrolidine-1-carboxamide
CID 113241349
N-[2-[1-[(2,5-difluorophenyl)carbamoyl]piperidin-4-yl]ethyl]pyrazine-2-carboxamide
CID 91903616
N-(2-acetamidoethyl)-3H-benzimidazole-5-carboxamide
CID 43397895

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-[(2-fluorophenyl)carbamoyl]piperidin-4-yl]ethyl]-3H-benzimidazole-5-carboxamide?
The IUPAC name of N-[2-[1-[(2-fluorophenyl)carbamoyl]piperidin-4-yl]ethyl]-3H-benzimidazole-5-carboxamide (CID 91911279) is N-[2-[1-[(2-fluorophenyl)carbamoyl]piperidin-4-yl]ethyl]-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for N-[2-[1-[(2-fluorophenyl)carbamoyl]piperidin-4-yl]ethyl]-3H-benzimidazole-5-carboxamide?
The canonical SMILES for N-[2-[1-[(2-fluorophenyl)carbamoyl]piperidin-4-yl]ethyl]-3H-benzimidazole-5-carboxamide is O=C(NCCC1CCN(C(=O)Nc2ccccc2F)CC1)c1ccc2nc[nH]c2c1.
What is the InChIKey of N-[2-[1-[(2-fluorophenyl)carbamoyl]piperidin-4-yl]ethyl]-3H-benzimidazole-5-carboxamide?
The InChIKey is TWJVFCYYROCPSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN5O2/c23-17-3-1-2-4-18(17)27-22(30)28-11-8-15(9-12-28)7-10-24-21(29)16-5-6-19-20(13-16)26-14-25-19/h1-6,13-15H,7-12H2,(H,24,29)(H,25,26)(H,27,30).
What are the key properties of N-[2-[1-[(2-fluorophenyl)carbamoyl]piperidin-4-yl]ethyl]-3H-benzimidazole-5-carboxamide?
N-[2-[1-[(2-fluorophenyl)carbamoyl]piperidin-4-yl]ethyl]-3H-benzimidazole-5-carboxamide has a molecular weight of 409.47 g/mol, XLogP of 3.77, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-[(2-fluorophenyl)carbamoyl]piperidin-4-yl]ethyl]-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 91911279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).