1-(4-hydroxyphenyl)-N-[4-[1-[2-(trifluoromethyl)pyridine-4-carbonyl]piperidin-4-yl]phenyl]cyclopropane-1-carboxamide

C28H26F3N3O3 — CID 171682938

IUPAC1-(4-hydroxyphenyl)-N-[4-[1-[2-(trifluoromethyl)pyridine-4-carbonyl]piperidin-4-yl]phenyl]cyclopropane-1-carboxamide
SMILESO=C(c1ccnc(C(F)(F)F)c1)N1CCC(c2ccc(NC(=O)C3(c4ccc(O)cc4)CC3)cc2)CC1
InChIInChI=1S/C28H26F3N3O3/c29-28(30,31)24-17-20(9-14-32-24)25(36)34-15-10-19(11-16-34)18-1-5-22(6-2-18)33-26(37)27(12-13-27)21-3-7-23(35)8-4-21/h1-9,14,17,19,35H,10-13,15-16H2,(H,33,37)
InChIKeyKXVYVAONYSEZDE-UHFFFAOYSA-N
MW509.53 g/mol
LogP5.50
Rot. Bonds5

About 1-(4-hydroxyphenyl)-N-[4-[1-[2-(trifluoromethyl)pyridine-4-carbonyl]piperidin-4-yl]phenyl]cyclopropane-1-carboxamide

1-(4-hydroxyphenyl)-N-[4-[1-[2-(trifluoromethyl)pyridine-4-carbonyl]piperidin-4-yl]phenyl]cyclopropane-1-carboxamide (PubChem CID 171682938) has the molecular formula C28H26F3N3O3 and a molecular weight of 509.53 g/mol. Its IUPAC name is 1-(4-hydroxyphenyl)-N-[4-[1-[2-(trifluoromethyl)pyridine-4-carbonyl]piperidin-4-yl]phenyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(4-hydroxyphenyl)-N-[4-[1-[2-(trifluoromethyl)pyridine-4-carbonyl]piperidin-4-yl]phenyl]cyclopropane-1-carboxamide
PubChem CID171682938
Molecular FormulaC28H26F3N3O3
Molecular Weight509.53 g/mol
Exact Mass509.19
IUPAC Name1-(4-hydroxyphenyl)-N-[4-[1-[2-(trifluoromethyl)pyridine-4-carbonyl]piperidin-4-yl]phenyl]cyclopropane-1-carboxamide
SMILESO=C(c1ccnc(C(F)(F)F)c1)N1CCC(c2ccc(NC(=O)C3(c4ccc(O)cc4)CC3)cc2)CC1
InChIInChI=1S/C28H26F3N3O3/c29-28(30,31)24-17-20(9-14-32-24)25(36)34-15-10-19(11-16-34)18-1-5-22(6-2-18)33-26(37)27(12-13-27)21-3-7-23(35)8-4-21/h1-9,14,17,19,35H,10-13,15-16H2,(H,33,37)
InChIKeyKXVYVAONYSEZDE-UHFFFAOYSA-N
XLogP5.50
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500509.53
LogP ≤ 55.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(4-hydroxyphenyl)-N-[4-[1-[2-(trifluoromethyl)pyridine-4-carbonyl]piperidin-4-yl]phenyl]cyclopropane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-(2,6-dimethylphenyl)-N-[4-[1-[2-(trifluoromethyl)pyridine-4-carbonyl]piperidin-4-yl]phenyl]oxamide
CID 171683936
1-(3-chlorophenyl)-N-[4-[1-(3,4-dimethoxypyridine-2-carbonyl)piperidin-4-yl]phenyl]cyclopropane-1-carboxamide
CID 171681849
N-[4-[1-(quinoxaline-6-carbonyl)piperidin-4-yl]phenyl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 171683860
N-[4-[1-(quinazoline-6-carbonyl)piperidin-4-yl]phenyl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 171685190
3-(4-methylphenoxy)-N-[4-[1-[6-(trifluoromethyl)pyridine-3-carbonyl]piperidin-4-yl]phenyl]propanamide
CID 171681569
(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)-[2-(trifluoromethyl)-4-pyridinyl]methanone
CID 121451640
[3,5-bis(trifluoromethyl)phenyl]-(4-phenylpiperidin-1-yl)methanone
CID 44765726
N-[4-[1-(6-tert-butylpyridine-3-carbonyl)piperidin-4-yl]phenyl]-4-(trifluoromethyl)pyridine-3-carboxamide
CID 171683402
(4-chlorophenyl)-[4-(4-hydroxyphenyl)piperidin-1-yl]methanone
CID 15290353
4-pyridin-4-yl-N-[6-(trifluoromethyl)-3-pyridinyl]piperidine-1-carboxamide
CID 136536230
N-[4-[1-(3-methoxy-5-methylbenzoyl)piperidin-4-yl]phenyl]-2-[6-(trifluoromethyl)-2-pyridinyl]acetamide
CID 171683165
1-phenyl-N-[4-[1-[4-(trifluoromethyl)-1H-pyrrole-2-carbonyl]piperidin-4-yl]phenyl]-1,2,4-triazole-3-carboxamide
CID 171681379

Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxyphenyl)-N-[4-[1-[2-(trifluoromethyl)pyridine-4-carbonyl]piperidin-4-yl]phenyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-(4-hydroxyphenyl)-N-[4-[1-[2-(trifluoromethyl)pyridine-4-carbonyl]piperidin-4-yl]phenyl]cyclopropane-1-carboxamide (CID 171682938) is 1-(4-hydroxyphenyl)-N-[4-[1-[2-(trifluoromethyl)pyridine-4-carbonyl]piperidin-4-yl]phenyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(4-hydroxyphenyl)-N-[4-[1-[2-(trifluoromethyl)pyridine-4-carbonyl]piperidin-4-yl]phenyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-(4-hydroxyphenyl)-N-[4-[1-[2-(trifluoromethyl)pyridine-4-carbonyl]piperidin-4-yl]phenyl]cyclopropane-1-carboxamide is O=C(c1ccnc(C(F)(F)F)c1)N1CCC(c2ccc(NC(=O)C3(c4ccc(O)cc4)CC3)cc2)CC1.
What is the InChIKey of 1-(4-hydroxyphenyl)-N-[4-[1-[2-(trifluoromethyl)pyridine-4-carbonyl]piperidin-4-yl]phenyl]cyclopropane-1-carboxamide?
The InChIKey is KXVYVAONYSEZDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26F3N3O3/c29-28(30,31)24-17-20(9-14-32-24)25(36)34-15-10-19(11-16-34)18-1-5-22(6-2-18)33-26(37)27(12-13-27)21-3-7-23(35)8-4-21/h1-9,14,17,19,35H,10-13,15-16H2,(H,33,37).
What are the key properties of 1-(4-hydroxyphenyl)-N-[4-[1-[2-(trifluoromethyl)pyridine-4-carbonyl]piperidin-4-yl]phenyl]cyclopropane-1-carboxamide?
1-(4-hydroxyphenyl)-N-[4-[1-[2-(trifluoromethyl)pyridine-4-carbonyl]piperidin-4-yl]phenyl]cyclopropane-1-carboxamide has a molecular weight of 509.53 g/mol, XLogP of 5.50, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxyphenyl)-N-[4-[1-[2-(trifluoromethyl)pyridine-4-carbonyl]piperidin-4-yl]phenyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 171682938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).