[4-[2-[(2R)-morpholin-2-yl]-1H-benzimidazol-4-yl]piperidin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone

C24H25F3N4O3 — CID 170734597

IUPAC[4-[2-[(2R)-morpholin-2-yl]-1H-benzimidazol-4-yl]piperidin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone
SMILESO=C(c1ccc(OC(F)(F)F)cc1)N1CCC(c2cccc3[nH]c([C@H]4CNCCO4)nc23)CC1
InChIInChI=1S/C24H25F3N4O3/c25-24(26,27)34-17-6-4-16(5-7-17)23(32)31-11-8-15(9-12-31)18-2-1-3-19-21(18)30-22(29-19)20-14-28-10-13-33-20/h1-7,15,20,28H,8-14H2,(H,29,30)/t20-/m1/s1
InChIKeyDABCMCCGOJAJBF-HXUWFJFHSA-N
MW474.48 g/mol
LogP4.14
Rot. Bonds4

About [4-[2-[(2R)-morpholin-2-yl]-1H-benzimidazol-4-yl]piperidin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone

[4-[2-[(2R)-morpholin-2-yl]-1H-benzimidazol-4-yl]piperidin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone (PubChem CID 170734597) has the molecular formula C24H25F3N4O3 and a molecular weight of 474.48 g/mol. Its IUPAC name is [4-[2-[(2R)-morpholin-2-yl]-1H-benzimidazol-4-yl]piperidin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone.

Molecular Properties

Compound Name[4-[2-[(2R)-morpholin-2-yl]-1H-benzimidazol-4-yl]piperidin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone
PubChem CID170734597
Molecular FormulaC24H25F3N4O3
Molecular Weight474.48 g/mol
Exact Mass474.19
IUPAC Name[4-[2-[(2R)-morpholin-2-yl]-1H-benzimidazol-4-yl]piperidin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone
SMILESO=C(c1ccc(OC(F)(F)F)cc1)N1CCC(c2cccc3[nH]c([C@H]4CNCCO4)nc23)CC1
InChIInChI=1S/C24H25F3N4O3/c25-24(26,27)34-17-6-4-16(5-7-17)23(32)31-11-8-15(9-12-31)18-2-1-3-19-21(18)30-22(29-19)20-14-28-10-13-33-20/h1-7,15,20,28H,8-14H2,(H,29,30)/t20-/m1/s1
InChIKeyDABCMCCGOJAJBF-HXUWFJFHSA-N
XLogP4.14
TPSA79.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.48
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[4-[2-[(2S)-oxolan-2-yl]-1H-imidazo[4,5-b]pyridin-7-yl]piperidin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone
CID 174173816
[4-[2-[(2R)-morpholin-2-yl]-1H-imidazo[4,5-b]pyridin-7-yl]piperidin-1-yl]-[4-(pentafluoro-λ6-sulfanyl)phenyl]methanone
CID 170734051
[4-[2-[(2R)-piperazin-2-yl]-1H-imidazo[4,5-b]pyridin-7-yl]piperidin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone
CID 174174011
[4-(2-piperidin-4-yl-1H-imidazo[4,5-b]pyridin-7-yl)piperidin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone
CID 170734259
[4-[2-[(2S)-azetidin-2-yl]-1H-imidazo[4,5-b]pyridin-7-yl]piperidin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone
CID 174173885
[4-[2-(4-pyridin-4-ylpyrrolidin-3-yl)-1H-imidazo[4,5-b]pyridin-7-yl]piperidin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone
CID 176889384
[4-[2-(2-methoxypropan-2-yl)-1H-imidazo[4,5-b]pyridin-7-yl]piperidin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone
CID 170734420
1-[4-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-2-morpholin-2-ylethanone
CID 70711639
[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone
CID 47061060
[4-[2-[(1S,3S)-3-aminocyclohexyl]-1H-imidazo[4,5-b]pyridin-7-yl]piperidin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone
CID 175994345
tert-butyl 3-[7-[1-[4-(trifluoromethoxy)benzoyl]piperidin-4-yl]-1H-imidazo[4,5-b]pyridin-2-yl]azetidine-1-carboxylate
CID 170734136
[4-[2-(4-aminooxan-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]piperidin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone;2,2,2-trifluoroacetic acid
CID 174174133

Frequently Asked Questions

What is the IUPAC name of [4-[2-[(2R)-morpholin-2-yl]-1H-benzimidazol-4-yl]piperidin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone?
The IUPAC name of [4-[2-[(2R)-morpholin-2-yl]-1H-benzimidazol-4-yl]piperidin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone (CID 170734597) is [4-[2-[(2R)-morpholin-2-yl]-1H-benzimidazol-4-yl]piperidin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone.
What is the SMILES notation for [4-[2-[(2R)-morpholin-2-yl]-1H-benzimidazol-4-yl]piperidin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone?
The canonical SMILES for [4-[2-[(2R)-morpholin-2-yl]-1H-benzimidazol-4-yl]piperidin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone is O=C(c1ccc(OC(F)(F)F)cc1)N1CCC(c2cccc3[nH]c([C@H]4CNCCO4)nc23)CC1.
What is the InChIKey of [4-[2-[(2R)-morpholin-2-yl]-1H-benzimidazol-4-yl]piperidin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone?
The InChIKey is DABCMCCGOJAJBF-HXUWFJFHSA-N. The full InChI is InChI=1S/C24H25F3N4O3/c25-24(26,27)34-17-6-4-16(5-7-17)23(32)31-11-8-15(9-12-31)18-2-1-3-19-21(18)30-22(29-19)20-14-28-10-13-33-20/h1-7,15,20,28H,8-14H2,(H,29,30)/t20-/m1/s1.
What are the key properties of [4-[2-[(2R)-morpholin-2-yl]-1H-benzimidazol-4-yl]piperidin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone?
[4-[2-[(2R)-morpholin-2-yl]-1H-benzimidazol-4-yl]piperidin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone has a molecular weight of 474.48 g/mol, XLogP of 4.14, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-[(2R)-morpholin-2-yl]-1H-benzimidazol-4-yl]piperidin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone is sourced from PubChem (CID 170734597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).