2-[4-(4-fluorophenyl)-4-hydroxy-3-methylpiperidin-1-yl]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide

C21H23FN4O3 — CID 16667756

IUPAC2-[4-(4-fluorophenyl)-4-hydroxy-3-methylpiperidin-1-yl]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide
SMILESCC1CN(CC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)CCC1(O)c1ccc(F)cc1
InChIInChI=1S/C21H23FN4O3/c1-13-11-26(9-8-21(13,29)14-2-4-15(22)5-3-14)12-19(27)23-16-6-7-17-18(10-16)25-20(28)24-17/h2-7,10,13,29H,8-9,11-12H2,1H3,(H,23,27)(H2,24,25,28)
InChIKeyNTBGRZHHOMBJLM-UHFFFAOYSA-N
MW398.44 g/mol
LogP2.16
Rot. Bonds4

About 2-[4-(4-fluorophenyl)-4-hydroxy-3-methylpiperidin-1-yl]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide

2-[4-(4-fluorophenyl)-4-hydroxy-3-methylpiperidin-1-yl]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide (PubChem CID 16667756) has the molecular formula C21H23FN4O3 and a molecular weight of 398.44 g/mol. Its IUPAC name is 2-[4-(4-fluorophenyl)-4-hydroxy-3-methylpiperidin-1-yl]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide.

Molecular Properties

Compound Name2-[4-(4-fluorophenyl)-4-hydroxy-3-methylpiperidin-1-yl]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide
PubChem CID16667756
Molecular FormulaC21H23FN4O3
Molecular Weight398.44 g/mol
Exact Mass398.18
IUPAC Name2-[4-(4-fluorophenyl)-4-hydroxy-3-methylpiperidin-1-yl]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide
SMILESCC1CN(CC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)CCC1(O)c1ccc(F)cc1
InChIInChI=1S/C21H23FN4O3/c1-13-11-26(9-8-21(13,29)14-2-4-15(22)5-3-14)12-19(27)23-16-6-7-17-18(10-16)25-20(28)24-17/h2-7,10,13,29H,8-9,11-12H2,1H3,(H,23,27)(H2,24,25,28)
InChIKeyNTBGRZHHOMBJLM-UHFFFAOYSA-N
XLogP2.16
TPSA101.22 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.44
LogP ≤ 52.16
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-fluorophenyl)-4-hydroxy-3-methylpiperidin-1-yl]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide?
The IUPAC name of 2-[4-(4-fluorophenyl)-4-hydroxy-3-methylpiperidin-1-yl]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide (CID 16667756) is 2-[4-(4-fluorophenyl)-4-hydroxy-3-methylpiperidin-1-yl]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide.
What is the SMILES notation for 2-[4-(4-fluorophenyl)-4-hydroxy-3-methylpiperidin-1-yl]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide?
The canonical SMILES for 2-[4-(4-fluorophenyl)-4-hydroxy-3-methylpiperidin-1-yl]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide is CC1CN(CC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)CCC1(O)c1ccc(F)cc1.
What is the InChIKey of 2-[4-(4-fluorophenyl)-4-hydroxy-3-methylpiperidin-1-yl]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide?
The InChIKey is NTBGRZHHOMBJLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN4O3/c1-13-11-26(9-8-21(13,29)14-2-4-15(22)5-3-14)12-19(27)23-16-6-7-17-18(10-16)25-20(28)24-17/h2-7,10,13,29H,8-9,11-12H2,1H3,(H,23,27)(H2,24,25,28).
What are the key properties of 2-[4-(4-fluorophenyl)-4-hydroxy-3-methylpiperidin-1-yl]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide?
2-[4-(4-fluorophenyl)-4-hydroxy-3-methylpiperidin-1-yl]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide has a molecular weight of 398.44 g/mol, XLogP of 2.16, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-fluorophenyl)-4-hydroxy-3-methylpiperidin-1-yl]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide is sourced from PubChem (CID 16667756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).