[3,5-bis(trifluoromethyl)phenyl]-[(3S,4R)-3-(2-chlorophenyl)-4-morpholin-4-ylpiperidin-1-yl]methanone

C24H23ClF6N2O2 — CID 87993188

IUPAC[3,5-bis(trifluoromethyl)phenyl]-[(3S,4R)-3-(2-chlorophenyl)-4-morpholin-4-ylpiperidin-1-yl]methanone
SMILESO=C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CC[C@@H](N2CCOCC2)[C@@H](c2ccccc2Cl)C1
InChIInChI=1S/C24H23ClF6N2O2/c25-20-4-2-1-3-18(20)19-14-33(6-5-21(19)32-7-9-35-10-8-32)22(34)15-11-16(23(26,27)28)13-17(12-15)24(29,30)31/h1-4,11-13,19,21H,5-10,14H2/t19-,21-/m1/s1
InChIKeyBAEXDRKZOPXLQL-TZIWHRDSSA-N
MW520.90 g/mol
LogP5.71
Rot. Bonds3

About [3,5-bis(trifluoromethyl)phenyl]-[(3S,4R)-3-(2-chlorophenyl)-4-morpholin-4-ylpiperidin-1-yl]methanone

[3,5-bis(trifluoromethyl)phenyl]-[(3S,4R)-3-(2-chlorophenyl)-4-morpholin-4-ylpiperidin-1-yl]methanone (PubChem CID 87993188) has the molecular formula C24H23ClF6N2O2 and a molecular weight of 520.90 g/mol. Its IUPAC name is [3,5-bis(trifluoromethyl)phenyl]-[(3S,4R)-3-(2-chlorophenyl)-4-morpholin-4-ylpiperidin-1-yl]methanone.

Molecular Properties

Compound Name[3,5-bis(trifluoromethyl)phenyl]-[(3S,4R)-3-(2-chlorophenyl)-4-morpholin-4-ylpiperidin-1-yl]methanone
PubChem CID87993188
Molecular FormulaC24H23ClF6N2O2
Molecular Weight520.90 g/mol
Exact Mass520.14
IUPAC Name[3,5-bis(trifluoromethyl)phenyl]-[(3S,4R)-3-(2-chlorophenyl)-4-morpholin-4-ylpiperidin-1-yl]methanone
SMILESO=C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CC[C@@H](N2CCOCC2)[C@@H](c2ccccc2Cl)C1
InChIInChI=1S/C24H23ClF6N2O2/c25-20-4-2-1-3-18(20)19-14-33(6-5-21(19)32-7-9-35-10-8-32)22(34)15-11-16(23(26,27)28)13-17(12-15)24(29,30)31/h1-4,11-13,19,21H,5-10,14H2/t19-,21-/m1/s1
InChIKeyBAEXDRKZOPXLQL-TZIWHRDSSA-N
XLogP5.71
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.90
LogP ≤ 55.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[3,5-bis(trifluoromethyl)phenyl]-[(3R,4S)-3-(4-fluorophenyl)-4-morpholin-4-ylpiperidin-1-yl]methanone
CID 131724168
[4-[(3S,4R)-1-[3,5-bis(trifluoromethyl)benzoyl]-3-phenylpiperidin-4-yl]piperazin-1-yl]-[3,5-bis(trifluoromethyl)phenyl]methanone
CID 87993067
9H-fluoren-9-ylmethyl 4-[(3S,4R)-1-[3,5-bis(trifluoromethyl)benzoyl]-3-(4-chlorophenyl)piperidin-4-yl]piperazine-1-carboxylate
CID 87992689
[3,5-bis(trifluoromethyl)phenyl]-[(3S,4R)-3-(4-fluorophenyl)-4-pyrrolidin-1-ylpiperidin-1-yl]methanone
CID 87992818
[3,5-bis(trifluoromethyl)phenyl]-[(3S,4R)-3-(4-morpholin-4-ylphenyl)-4-phenylpiperidin-1-yl]methanone
CID 87992886
4-[(3S,4R)-1-[3,5-bis(trifluoromethyl)benzoyl]-3-(4-chlorophenyl)piperidin-4-yl]piperazine-1-carboxylic acid
CID 91592236
[3,5-bis(trifluoromethyl)phenyl]-[3-(4-methylphenyl)-4-(4-phenylpiperazin-1-yl)piperidin-1-yl]methanone
CID 18001177
[3,5-bis(trifluoromethyl)phenyl]-[3-(4-chlorophenyl)-4-(3-piperidin-1-ylmorpholin-4-yl)piperidin-1-yl]methanone
CID 10121538
1-[1-[3,5-bis(trifluoromethyl)benzoyl]-3-phenylpiperidin-4-yl]pyrrolidin-3-one
CID 10163079
1-[4-[1-[3,5-bis(trifluoromethyl)benzoyl]-3-phenylpiperidin-4-yl]piperazin-1-yl]-2-phenylethanone
CID 10210889
[3,5-bis(trifluoromethyl)phenyl]-[(3S,4R)-3-(4-chlorophenyl)-4-phenylpiperidin-1-yl]methanone
CID 87910244
[3,5-bis(trifluoromethyl)phenyl]-[4-[4-(cyclopropylmethoxy)piperidin-1-yl]-3-phenylpiperidin-1-yl]methanone
CID 10120192

Frequently Asked Questions

What is the IUPAC name of [3,5-bis(trifluoromethyl)phenyl]-[(3S,4R)-3-(2-chlorophenyl)-4-morpholin-4-ylpiperidin-1-yl]methanone?
The IUPAC name of [3,5-bis(trifluoromethyl)phenyl]-[(3S,4R)-3-(2-chlorophenyl)-4-morpholin-4-ylpiperidin-1-yl]methanone (CID 87993188) is [3,5-bis(trifluoromethyl)phenyl]-[(3S,4R)-3-(2-chlorophenyl)-4-morpholin-4-ylpiperidin-1-yl]methanone.
What is the SMILES notation for [3,5-bis(trifluoromethyl)phenyl]-[(3S,4R)-3-(2-chlorophenyl)-4-morpholin-4-ylpiperidin-1-yl]methanone?
The canonical SMILES for [3,5-bis(trifluoromethyl)phenyl]-[(3S,4R)-3-(2-chlorophenyl)-4-morpholin-4-ylpiperidin-1-yl]methanone is O=C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CC[C@@H](N2CCOCC2)[C@@H](c2ccccc2Cl)C1.
What is the InChIKey of [3,5-bis(trifluoromethyl)phenyl]-[(3S,4R)-3-(2-chlorophenyl)-4-morpholin-4-ylpiperidin-1-yl]methanone?
The InChIKey is BAEXDRKZOPXLQL-TZIWHRDSSA-N. The full InChI is InChI=1S/C24H23ClF6N2O2/c25-20-4-2-1-3-18(20)19-14-33(6-5-21(19)32-7-9-35-10-8-32)22(34)15-11-16(23(26,27)28)13-17(12-15)24(29,30)31/h1-4,11-13,19,21H,5-10,14H2/t19-,21-/m1/s1.
What are the key properties of [3,5-bis(trifluoromethyl)phenyl]-[(3S,4R)-3-(2-chlorophenyl)-4-morpholin-4-ylpiperidin-1-yl]methanone?
[3,5-bis(trifluoromethyl)phenyl]-[(3S,4R)-3-(2-chlorophenyl)-4-morpholin-4-ylpiperidin-1-yl]methanone has a molecular weight of 520.90 g/mol, XLogP of 5.71, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3,5-bis(trifluoromethyl)phenyl]-[(3S,4R)-3-(2-chlorophenyl)-4-morpholin-4-ylpiperidin-1-yl]methanone is sourced from PubChem (CID 87993188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).