[4-(4-hydroxypiperidin-4-yl)phenyl]-[4-[4-(trifluoromethyl)anilino]piperidin-1-yl]methanone

C24H28F3N3O2 — CID 164533541

IUPAC[4-(4-hydroxypiperidin-4-yl)phenyl]-[4-[4-(trifluoromethyl)anilino]piperidin-1-yl]methanone
SMILESO=C(c1ccc(C2(O)CCNCC2)cc1)N1CCC(Nc2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C24H28F3N3O2/c25-24(26,27)19-5-7-20(8-6-19)29-21-9-15-30(16-10-21)22(31)17-1-3-18(4-2-17)23(32)11-13-28-14-12-23/h1-8,21,28-29,32H,9-16H2
InChIKeyDEBKODMQWCWLCW-UHFFFAOYSA-N
MW447.50 g/mol
LogP3.99
Rot. Bonds4

About [4-(4-hydroxypiperidin-4-yl)phenyl]-[4-[4-(trifluoromethyl)anilino]piperidin-1-yl]methanone

[4-(4-hydroxypiperidin-4-yl)phenyl]-[4-[4-(trifluoromethyl)anilino]piperidin-1-yl]methanone (PubChem CID 164533541) has the molecular formula C24H28F3N3O2 and a molecular weight of 447.50 g/mol. Its IUPAC name is [4-(4-hydroxypiperidin-4-yl)phenyl]-[4-[4-(trifluoromethyl)anilino]piperidin-1-yl]methanone.

Molecular Properties

Compound Name[4-(4-hydroxypiperidin-4-yl)phenyl]-[4-[4-(trifluoromethyl)anilino]piperidin-1-yl]methanone
PubChem CID164533541
Molecular FormulaC24H28F3N3O2
Molecular Weight447.50 g/mol
Exact Mass447.21
IUPAC Name[4-(4-hydroxypiperidin-4-yl)phenyl]-[4-[4-(trifluoromethyl)anilino]piperidin-1-yl]methanone
SMILESO=C(c1ccc(C2(O)CCNCC2)cc1)N1CCC(Nc2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C24H28F3N3O2/c25-24(26,27)19-5-7-20(8-6-19)29-21-9-15-30(16-10-21)22(31)17-1-3-18(4-2-17)23(32)11-13-28-14-12-23/h1-8,21,28-29,32H,9-16H2
InChIKeyDEBKODMQWCWLCW-UHFFFAOYSA-N
XLogP3.99
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.50
LogP ≤ 53.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze [4-(4-hydroxypiperidin-4-yl)phenyl]-[4-[4-(trifluoromethyl)anilino]piperidin-1-yl]methanone with MolForge

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Related Compounds

[4-(3-hydroxyoxetan-3-yl)phenyl]-[4-[4-(trifluoromethyl)anilino]piperidin-1-yl]methanone
CID 164533483
[4-(4-hydroxypiperidin-4-yl)phenyl]-[5-[4-(trifluoromethyl)phenoxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]methanone;hydrochloride
CID 164533568
[4-[difluoro-[4-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]-[4-(3-hydroxyoxetan-3-yl)phenyl]methanone
CID 164533266
(4-fluorophenyl)-[4-(4-methylanilino)piperidin-1-yl]methanone
CID 3936684
(4-hydroxypiperidin-1-yl)-[4-(trifluoromethyl)phenyl]methanone
CID 139087671
N-[1-(4-methylbenzoyl)piperidin-4-yl]-4-(trifluoromethyl)benzamide
CID 108558531
(2,2-difluoro-6-azaspiro[2.5]octan-6-yl)-[4-(trifluoromethyl)phenyl]methanone
CID 131702366
(3-piperazin-1-ylpyrrolidin-1-yl)-[4-(trifluoromethyl)phenyl]methanone;hydrochloride
CID 120995892
(4-pyrrolidin-2-ylpiperidin-1-yl)-[4-(trifluoromethyl)phenyl]methanone;hydrochloride
CID 119999686
2-cyclohexyl-1-[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]ethanone
CID 55586569
[4-(4-fluorophenoxy)piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 110396962
N-cyclopentyl-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide
CID 26017391

Frequently Asked Questions

What is the IUPAC name of [4-(4-hydroxypiperidin-4-yl)phenyl]-[4-[4-(trifluoromethyl)anilino]piperidin-1-yl]methanone?
The IUPAC name of [4-(4-hydroxypiperidin-4-yl)phenyl]-[4-[4-(trifluoromethyl)anilino]piperidin-1-yl]methanone (CID 164533541) is [4-(4-hydroxypiperidin-4-yl)phenyl]-[4-[4-(trifluoromethyl)anilino]piperidin-1-yl]methanone.
What is the SMILES notation for [4-(4-hydroxypiperidin-4-yl)phenyl]-[4-[4-(trifluoromethyl)anilino]piperidin-1-yl]methanone?
The canonical SMILES for [4-(4-hydroxypiperidin-4-yl)phenyl]-[4-[4-(trifluoromethyl)anilino]piperidin-1-yl]methanone is O=C(c1ccc(C2(O)CCNCC2)cc1)N1CCC(Nc2ccc(C(F)(F)F)cc2)CC1.
What is the InChIKey of [4-(4-hydroxypiperidin-4-yl)phenyl]-[4-[4-(trifluoromethyl)anilino]piperidin-1-yl]methanone?
The InChIKey is DEBKODMQWCWLCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28F3N3O2/c25-24(26,27)19-5-7-20(8-6-19)29-21-9-15-30(16-10-21)22(31)17-1-3-18(4-2-17)23(32)11-13-28-14-12-23/h1-8,21,28-29,32H,9-16H2.
What are the key properties of [4-(4-hydroxypiperidin-4-yl)phenyl]-[4-[4-(trifluoromethyl)anilino]piperidin-1-yl]methanone?
[4-(4-hydroxypiperidin-4-yl)phenyl]-[4-[4-(trifluoromethyl)anilino]piperidin-1-yl]methanone has a molecular weight of 447.50 g/mol, XLogP of 3.99, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-hydroxypiperidin-4-yl)phenyl]-[4-[4-(trifluoromethyl)anilino]piperidin-1-yl]methanone is sourced from PubChem (CID 164533541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).