3-[1-[2-[4-fluoro-1-(pyridine-3-carbonyl)piperidin-4-yl]propyl]piperidin-4-yl]-1H-benzimidazol-2-one

C26H32FN5O2 — CID 10276650

IUPAC3-[1-[2-[4-fluoro-1-(pyridine-3-carbonyl)piperidin-4-yl]propyl]piperidin-4-yl]-1H-benzimidazol-2-one
SMILESCC(CN1CCC(n2c(=O)[nH]c3ccccc32)CC1)C1(F)CCN(C(=O)c2cccnc2)CC1
InChIInChI=1S/C26H32FN5O2/c1-19(26(27)10-15-31(16-11-26)24(33)20-5-4-12-28-17-20)18-30-13-8-21(9-14-30)32-23-7-3-2-6-22(23)29-25(32)34/h2-7,12,17,19,21H,8-11,13-16,18H2,1H3,(H,29,34)
InChIKeyAHOORBUILJATPX-UHFFFAOYSA-N
MW465.57 g/mol
LogP3.64
Rot. Bonds5

About 3-[1-[2-[4-fluoro-1-(pyridine-3-carbonyl)piperidin-4-yl]propyl]piperidin-4-yl]-1H-benzimidazol-2-one

3-[1-[2-[4-fluoro-1-(pyridine-3-carbonyl)piperidin-4-yl]propyl]piperidin-4-yl]-1H-benzimidazol-2-one (PubChem CID 10276650) has the molecular formula C26H32FN5O2 and a molecular weight of 465.57 g/mol. Its IUPAC name is 3-[1-[2-[4-fluoro-1-(pyridine-3-carbonyl)piperidin-4-yl]propyl]piperidin-4-yl]-1H-benzimidazol-2-one.

Molecular Properties

Compound Name3-[1-[2-[4-fluoro-1-(pyridine-3-carbonyl)piperidin-4-yl]propyl]piperidin-4-yl]-1H-benzimidazol-2-one
PubChem CID10276650
Molecular FormulaC26H32FN5O2
Molecular Weight465.57 g/mol
Exact Mass465.25
IUPAC Name3-[1-[2-[4-fluoro-1-(pyridine-3-carbonyl)piperidin-4-yl]propyl]piperidin-4-yl]-1H-benzimidazol-2-one
SMILESCC(CN1CCC(n2c(=O)[nH]c3ccccc32)CC1)C1(F)CCN(C(=O)c2cccnc2)CC1
InChIInChI=1S/C26H32FN5O2/c1-19(26(27)10-15-31(16-11-26)24(33)20-5-4-12-28-17-20)18-30-13-8-21(9-14-30)32-23-7-3-2-6-22(23)29-25(32)34/h2-7,12,17,19,21H,8-11,13-16,18H2,1H3,(H,29,34)
InChIKeyAHOORBUILJATPX-UHFFFAOYSA-N
XLogP3.64
TPSA74.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.57
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[1-[2-[4-fluoro-1-(pyridine-3-carbonyl)piperidin-4-yl]propyl]piperidin-4-yl]-1H-benzimidazol-2-one?
The IUPAC name of 3-[1-[2-[4-fluoro-1-(pyridine-3-carbonyl)piperidin-4-yl]propyl]piperidin-4-yl]-1H-benzimidazol-2-one (CID 10276650) is 3-[1-[2-[4-fluoro-1-(pyridine-3-carbonyl)piperidin-4-yl]propyl]piperidin-4-yl]-1H-benzimidazol-2-one.
What is the SMILES notation for 3-[1-[2-[4-fluoro-1-(pyridine-3-carbonyl)piperidin-4-yl]propyl]piperidin-4-yl]-1H-benzimidazol-2-one?
The canonical SMILES for 3-[1-[2-[4-fluoro-1-(pyridine-3-carbonyl)piperidin-4-yl]propyl]piperidin-4-yl]-1H-benzimidazol-2-one is CC(CN1CCC(n2c(=O)[nH]c3ccccc32)CC1)C1(F)CCN(C(=O)c2cccnc2)CC1.
What is the InChIKey of 3-[1-[2-[4-fluoro-1-(pyridine-3-carbonyl)piperidin-4-yl]propyl]piperidin-4-yl]-1H-benzimidazol-2-one?
The InChIKey is AHOORBUILJATPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32FN5O2/c1-19(26(27)10-15-31(16-11-26)24(33)20-5-4-12-28-17-20)18-30-13-8-21(9-14-30)32-23-7-3-2-6-22(23)29-25(32)34/h2-7,12,17,19,21H,8-11,13-16,18H2,1H3,(H,29,34).
What are the key properties of 3-[1-[2-[4-fluoro-1-(pyridine-3-carbonyl)piperidin-4-yl]propyl]piperidin-4-yl]-1H-benzimidazol-2-one?
3-[1-[2-[4-fluoro-1-(pyridine-3-carbonyl)piperidin-4-yl]propyl]piperidin-4-yl]-1H-benzimidazol-2-one has a molecular weight of 465.57 g/mol, XLogP of 3.64, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[2-[4-fluoro-1-(pyridine-3-carbonyl)piperidin-4-yl]propyl]piperidin-4-yl]-1H-benzimidazol-2-one is sourced from PubChem (CID 10276650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).