3-[1-[1-(4-fluorobenzoyl)piperidin-4-yl]piperidin-4-yl]-1H-benzimidazol-2-one

C24H27FN4O2 — CID 21471689

IUPAC3-[1-[1-(4-fluorobenzoyl)piperidin-4-yl]piperidin-4-yl]-1H-benzimidazol-2-one
SMILESO=C(c1ccc(F)cc1)N1CCC(N2CCC(n3c(=O)[nH]c4ccccc43)CC2)CC1
InChIInChI=1S/C24H27FN4O2/c25-18-7-5-17(6-8-18)23(30)28-15-9-19(10-16-28)27-13-11-20(12-14-27)29-22-4-2-1-3-21(22)26-24(29)31/h1-8,19-20H,9-16H2,(H,26,31)
InChIKeyCMBRMJYAUNOXAE-UHFFFAOYSA-N
MW422.50 g/mol
LogP3.41
Rot. Bonds3

About 3-[1-[1-(4-fluorobenzoyl)piperidin-4-yl]piperidin-4-yl]-1H-benzimidazol-2-one

3-[1-[1-(4-fluorobenzoyl)piperidin-4-yl]piperidin-4-yl]-1H-benzimidazol-2-one (PubChem CID 21471689) has the molecular formula C24H27FN4O2 and a molecular weight of 422.50 g/mol. Its IUPAC name is 3-[1-[1-(4-fluorobenzoyl)piperidin-4-yl]piperidin-4-yl]-1H-benzimidazol-2-one.

Molecular Properties

Compound Name3-[1-[1-(4-fluorobenzoyl)piperidin-4-yl]piperidin-4-yl]-1H-benzimidazol-2-one
PubChem CID21471689
Molecular FormulaC24H27FN4O2
Molecular Weight422.50 g/mol
Exact Mass422.21
IUPAC Name3-[1-[1-(4-fluorobenzoyl)piperidin-4-yl]piperidin-4-yl]-1H-benzimidazol-2-one
SMILESO=C(c1ccc(F)cc1)N1CCC(N2CCC(n3c(=O)[nH]c4ccccc43)CC2)CC1
InChIInChI=1S/C24H27FN4O2/c25-18-7-5-17(6-8-18)23(30)28-15-9-19(10-16-28)27-13-11-20(12-14-27)29-22-4-2-1-3-21(22)26-24(29)31/h1-8,19-20H,9-16H2,(H,26,31)
InChIKeyCMBRMJYAUNOXAE-UHFFFAOYSA-N
XLogP3.41
TPSA61.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.50
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[1-(4-fluorobenzoyl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 24735719
3-[1-[1-(4-chlorobenzoyl)piperidin-4-yl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 142654855
3-[1-(4-chlorobenzoyl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 27184460
3-[1-(4-propan-2-ylbenzoyl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 55431766
3-[1-(4-methylsulfonylbenzoyl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 24735717
3-[1-[3-fluoro-4-(trifluoromethyl)benzoyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 44757731
3-[1-(4-ethoxybenzoyl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 51245657
3-[1-[4-(4-fluorophenyl)-4-hydroxycyclohexyl]piperidin-4-yl]-1H-benzimidazol-2-one;hydrochloride
CID 12834387
3-[1-[5-fluoro-2-(trifluoromethyl)benzoyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 44757507
3-[1-[(1R,2R)-2-(4-fluorophenyl)cyclopropanecarbonyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 94526549
3-[1-(2-bromobenzoyl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 44756975
3-[1-(5-bromopyridine-3-carbonyl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 55431925

Frequently Asked Questions

What is the IUPAC name of 3-[1-[1-(4-fluorobenzoyl)piperidin-4-yl]piperidin-4-yl]-1H-benzimidazol-2-one?
The IUPAC name of 3-[1-[1-(4-fluorobenzoyl)piperidin-4-yl]piperidin-4-yl]-1H-benzimidazol-2-one (CID 21471689) is 3-[1-[1-(4-fluorobenzoyl)piperidin-4-yl]piperidin-4-yl]-1H-benzimidazol-2-one.
What is the SMILES notation for 3-[1-[1-(4-fluorobenzoyl)piperidin-4-yl]piperidin-4-yl]-1H-benzimidazol-2-one?
The canonical SMILES for 3-[1-[1-(4-fluorobenzoyl)piperidin-4-yl]piperidin-4-yl]-1H-benzimidazol-2-one is O=C(c1ccc(F)cc1)N1CCC(N2CCC(n3c(=O)[nH]c4ccccc43)CC2)CC1.
What is the InChIKey of 3-[1-[1-(4-fluorobenzoyl)piperidin-4-yl]piperidin-4-yl]-1H-benzimidazol-2-one?
The InChIKey is CMBRMJYAUNOXAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27FN4O2/c25-18-7-5-17(6-8-18)23(30)28-15-9-19(10-16-28)27-13-11-20(12-14-27)29-22-4-2-1-3-21(22)26-24(29)31/h1-8,19-20H,9-16H2,(H,26,31).
What are the key properties of 3-[1-[1-(4-fluorobenzoyl)piperidin-4-yl]piperidin-4-yl]-1H-benzimidazol-2-one?
3-[1-[1-(4-fluorobenzoyl)piperidin-4-yl]piperidin-4-yl]-1H-benzimidazol-2-one has a molecular weight of 422.50 g/mol, XLogP of 3.41, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[1-(4-fluorobenzoyl)piperidin-4-yl]piperidin-4-yl]-1H-benzimidazol-2-one is sourced from PubChem (CID 21471689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).