3-[1-[(1R,2R)-2-(4-fluorophenyl)cyclopropanecarbonyl]piperidin-4-yl]-1H-benzimidazol-2-one

C22H22FN3O2 — CID 94526549

IUPAC3-[1-[(1R,2R)-2-(4-fluorophenyl)cyclopropanecarbonyl]piperidin-4-yl]-1H-benzimidazol-2-one
SMILESO=C([C@@H]1C[C@H]1c1ccc(F)cc1)N1CCC(n2c(=O)[nH]c3ccccc32)CC1
InChIInChI=1S/C22H22FN3O2/c23-15-7-5-14(6-8-15)17-13-18(17)21(27)25-11-9-16(10-12-25)26-20-4-2-1-3-19(20)24-22(26)28/h1-8,16-18H,9-13H2,(H,24,28)/t17-,18+/m0/s1
InChIKeyVEVAHDVXYUTHKO-ZWKOTPCHSA-N
MW379.44 g/mol
LogP3.44
Rot. Bonds3

About 3-[1-[(1R,2R)-2-(4-fluorophenyl)cyclopropanecarbonyl]piperidin-4-yl]-1H-benzimidazol-2-one

3-[1-[(1R,2R)-2-(4-fluorophenyl)cyclopropanecarbonyl]piperidin-4-yl]-1H-benzimidazol-2-one (PubChem CID 94526549) has the molecular formula C22H22FN3O2 and a molecular weight of 379.44 g/mol. Its IUPAC name is 3-[1-[(1R,2R)-2-(4-fluorophenyl)cyclopropanecarbonyl]piperidin-4-yl]-1H-benzimidazol-2-one.

Molecular Properties

Compound Name3-[1-[(1R,2R)-2-(4-fluorophenyl)cyclopropanecarbonyl]piperidin-4-yl]-1H-benzimidazol-2-one
PubChem CID94526549
Molecular FormulaC22H22FN3O2
Molecular Weight379.44 g/mol
Exact Mass379.17
IUPAC Name3-[1-[(1R,2R)-2-(4-fluorophenyl)cyclopropanecarbonyl]piperidin-4-yl]-1H-benzimidazol-2-one
SMILESO=C([C@@H]1C[C@H]1c1ccc(F)cc1)N1CCC(n2c(=O)[nH]c3ccccc32)CC1
InChIInChI=1S/C22H22FN3O2/c23-15-7-5-14(6-8-15)17-13-18(17)21(27)25-11-9-16(10-12-25)26-20-4-2-1-3-19(20)24-22(26)28/h1-8,16-18H,9-13H2,(H,24,28)/t17-,18+/m0/s1
InChIKeyVEVAHDVXYUTHKO-ZWKOTPCHSA-N
XLogP3.44
TPSA58.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.44
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[1-[(1R,2R)-2-(4-fluorophenyl)cyclopropanecarbonyl]piperidin-4-yl]-1H-benzimidazol-2-one with MolForge

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Related Compounds

3-[1-(4-fluorobenzoyl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 24735719
3-[1-[1-(4-fluorobenzoyl)piperidin-4-yl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 21471689
3-[1-(2-ethylcyclopentanecarbonyl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 172968110
3-[1-(1-methylpiperidine-4-carbonyl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 58863178
3-[1-(adamantane-1-carbonyl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 51245637
3-[1-[5-fluoro-2-(trifluoromethyl)benzoyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 44757507
2,2-difluoroethyl 4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxylate
CID 172967860
3-[1-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 46557771
3-[1-(4-chlorobenzoyl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 27184460
3-[1-(2-bromobenzoyl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 44756975
3-[1-[(2,4-difluorophenyl)methyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 24735754
[(1S,2S)-2-(4-fluorophenyl)cyclopropyl]-[4-(1H-indole-2-carbonyl)piperazin-1-yl]methanone
CID 51896857

Frequently Asked Questions

What is the IUPAC name of 3-[1-[(1R,2R)-2-(4-fluorophenyl)cyclopropanecarbonyl]piperidin-4-yl]-1H-benzimidazol-2-one?
The IUPAC name of 3-[1-[(1R,2R)-2-(4-fluorophenyl)cyclopropanecarbonyl]piperidin-4-yl]-1H-benzimidazol-2-one (CID 94526549) is 3-[1-[(1R,2R)-2-(4-fluorophenyl)cyclopropanecarbonyl]piperidin-4-yl]-1H-benzimidazol-2-one.
What is the SMILES notation for 3-[1-[(1R,2R)-2-(4-fluorophenyl)cyclopropanecarbonyl]piperidin-4-yl]-1H-benzimidazol-2-one?
The canonical SMILES for 3-[1-[(1R,2R)-2-(4-fluorophenyl)cyclopropanecarbonyl]piperidin-4-yl]-1H-benzimidazol-2-one is O=C([C@@H]1C[C@H]1c1ccc(F)cc1)N1CCC(n2c(=O)[nH]c3ccccc32)CC1.
What is the InChIKey of 3-[1-[(1R,2R)-2-(4-fluorophenyl)cyclopropanecarbonyl]piperidin-4-yl]-1H-benzimidazol-2-one?
The InChIKey is VEVAHDVXYUTHKO-ZWKOTPCHSA-N. The full InChI is InChI=1S/C22H22FN3O2/c23-15-7-5-14(6-8-15)17-13-18(17)21(27)25-11-9-16(10-12-25)26-20-4-2-1-3-19(20)24-22(26)28/h1-8,16-18H,9-13H2,(H,24,28)/t17-,18+/m0/s1.
What are the key properties of 3-[1-[(1R,2R)-2-(4-fluorophenyl)cyclopropanecarbonyl]piperidin-4-yl]-1H-benzimidazol-2-one?
3-[1-[(1R,2R)-2-(4-fluorophenyl)cyclopropanecarbonyl]piperidin-4-yl]-1H-benzimidazol-2-one has a molecular weight of 379.44 g/mol, XLogP of 3.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(1R,2R)-2-(4-fluorophenyl)cyclopropanecarbonyl]piperidin-4-yl]-1H-benzimidazol-2-one is sourced from PubChem (CID 94526549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).