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

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

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Related Compounds

3-[1-(5-bromopyridine-3-carbonyl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 55431925
3-[1-(4-propan-2-ylbenzoyl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 55431766
3-[1-(4-fluorobenzoyl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 24735719
[4-(2-methylpropyl)piperazin-1-yl]-pyridin-3-ylmethanone
CID 60590538
3-[1-[2-[1-(pyrazine-2-carbonyl)piperidin-4-yl]ethyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 10137795
3-[1-(4-chlorobenzoyl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 27184460
3-[1-[1-(4-fluorobenzoyl)piperidin-4-yl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 21471689
[(4R)-4-[4-(2-methylpropyl)piperazin-1-yl]-1-oxa-9-azaspiro[5.5]undecan-9-yl]-pyridin-3-ylmethanone
CID 125462334
N-[4-methyl-1-oxo-1-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]pentan-2-yl]benzamide
CID 44756255
3-[1-(4-methylsulfonylbenzoyl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 24735717
N-[4-(2-oxo-3H-benzimidazol-1-yl)cyclohexyl]-N-piperidin-4-ylpyridine-3-carboxamide
CID 21471605
2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]acetamide
CID 57054370

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).