N-[4-[(3R,4S)-4-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-phenylpiperidine-1-carbonyl]cyclohexyl]-2-(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)acetamide

C33H36F6N4O5 — CID 91186990

IUPACN-[4-[(3R,4S)-4-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-phenylpiperidine-1-carbonyl]cyclohexyl]-2-(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)acetamide
SMILESC[C@@H](O[C@H]1CCN(C(=O)C2CCC(NC(=O)Cc3[nH]c(=O)[nH]c3O)CC2)CC1c1ccccc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C33H36F6N4O5/c1-18(21-13-22(32(34,35)36)15-23(14-21)33(37,38)39)48-27-11-12-43(17-25(27)19-5-3-2-4-6-19)30(46)20-7-9-24(10-8-20)40-28(44)16-26-29(45)42-31(47)41-26/h2-6,13-15,18,20,24-25,27,45H,7-12,16-17H2,1H3,(H,40,44)(H2,41,42,47)/t18-,20?,24?,25?,27+/m1/s1
InChIKeyPWQTVMPXVBBOOU-DGAQOXNISA-N
MW682.66 g/mol
LogP5.83
Rot. Bonds8

About N-[4-[(3R,4S)-4-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-phenylpiperidine-1-carbonyl]cyclohexyl]-2-(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)acetamide

N-[4-[(3R,4S)-4-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-phenylpiperidine-1-carbonyl]cyclohexyl]-2-(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)acetamide (PubChem CID 91186990) has the molecular formula C33H36F6N4O5 and a molecular weight of 682.66 g/mol. Its IUPAC name is N-[4-[(3R,4S)-4-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-phenylpiperidine-1-carbonyl]cyclohexyl]-2-(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)acetamide.

Molecular Properties

Compound NameN-[4-[(3R,4S)-4-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-phenylpiperidine-1-carbonyl]cyclohexyl]-2-(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)acetamide
PubChem CID91186990
Molecular FormulaC33H36F6N4O5
Molecular Weight682.66 g/mol
Exact Mass682.26
IUPAC NameN-[4-[(3R,4S)-4-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-phenylpiperidine-1-carbonyl]cyclohexyl]-2-(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)acetamide
SMILESC[C@@H](O[C@H]1CCN(C(=O)C2CCC(NC(=O)Cc3[nH]c(=O)[nH]c3O)CC2)CC1c1ccccc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C33H36F6N4O5/c1-18(21-13-22(32(34,35)36)15-23(14-21)33(37,38)39)48-27-11-12-43(17-25(27)19-5-3-2-4-6-19)30(46)20-7-9-24(10-8-20)40-28(44)16-26-29(45)42-31(47)41-26/h2-6,13-15,18,20,24-25,27,45H,7-12,16-17H2,1H3,(H,40,44)(H2,41,42,47)/t18-,20?,24?,25?,27+/m1/s1
InChIKeyPWQTVMPXVBBOOU-DGAQOXNISA-N
XLogP5.83
TPSA127.52 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500682.66
LogP ≤ 55.83
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze N-[4-[(3R,4S)-4-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-phenylpiperidine-1-carbonyl]cyclohexyl]-2-(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)acetamide 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

[4-[4-[1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-phenylpiperidine-1-carbonyl]cyclohexyl]carbamic acid
CID 87795743
N-[4-[(3R,4S)-4-[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]-3-phenylpiperidine-1-carbonyl]cyclohexyl]propanamide
CID 69350904
tert-butyl N-[4-[(3R,4S)-4-[(1S)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-phenylpiperidine-1-carbonyl]cyclohexyl]carbamate
CID 90974558
(4-aminocyclohexyl)-[(3R,4S)-4-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-phenylpiperidin-1-yl]methanone
CID 86606055
[(3R,4S)-4-[(1S)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-phenylpiperidin-1-yl]-piperidin-4-ylmethanone
CID 87795079
[4-[(3R,4S)-4-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-phenylpiperidine-1-carbonyl]cyclohexyl]-methylcarbamic acid
CID 87795344
2-[4-[(3R,4S)-4-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-phenylpiperidine-1-carbonyl]piperidin-1-yl]acetic acid
CID 87795141
1-[4-[(3R,4S)-4-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-phenylpiperidine-1-carbonyl]piperidin-1-yl]propan-2-one;hydrochloride
CID 86606041
1-[4-[(3R,4S)-4-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-phenylpiperidine-1-carbonyl]piperidine-1-carbonyl]imidazolidin-2-one
CID 86606049
2-[4-[(3R,4S)-4-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-phenylpiperidine-1-carbonyl]piperidin-1-yl]-N,N-dimethylacetamide
CID 86606051
N-[1-[2-[4-[1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-phenylpiperidin-1-yl]-2-oxoethyl]piperidin-4-yl]acetamide
CID 87795238
(3S,4S)-4-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)piperidine-1-carboxylic acid
CID 87650383

Frequently Asked Questions

What is the IUPAC name of N-[4-[(3R,4S)-4-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-phenylpiperidine-1-carbonyl]cyclohexyl]-2-(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)acetamide?
The IUPAC name of N-[4-[(3R,4S)-4-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-phenylpiperidine-1-carbonyl]cyclohexyl]-2-(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)acetamide (CID 91186990) is N-[4-[(3R,4S)-4-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-phenylpiperidine-1-carbonyl]cyclohexyl]-2-(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)acetamide.
What is the SMILES notation for N-[4-[(3R,4S)-4-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-phenylpiperidine-1-carbonyl]cyclohexyl]-2-(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)acetamide?
The canonical SMILES for N-[4-[(3R,4S)-4-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-phenylpiperidine-1-carbonyl]cyclohexyl]-2-(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)acetamide is C[C@@H](O[C@H]1CCN(C(=O)C2CCC(NC(=O)Cc3[nH]c(=O)[nH]c3O)CC2)CC1c1ccccc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1.
What is the InChIKey of N-[4-[(3R,4S)-4-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-phenylpiperidine-1-carbonyl]cyclohexyl]-2-(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)acetamide?
The InChIKey is PWQTVMPXVBBOOU-DGAQOXNISA-N. The full InChI is InChI=1S/C33H36F6N4O5/c1-18(21-13-22(32(34,35)36)15-23(14-21)33(37,38)39)48-27-11-12-43(17-25(27)19-5-3-2-4-6-19)30(46)20-7-9-24(10-8-20)40-28(44)16-26-29(45)42-31(47)41-26/h2-6,13-15,18,20,24-25,27,45H,7-12,16-17H2,1H3,(H,40,44)(H2,41,42,47)/t18-,20?,24?,25?,27+/m1/s1.
What are the key properties of N-[4-[(3R,4S)-4-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-phenylpiperidine-1-carbonyl]cyclohexyl]-2-(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)acetamide?
N-[4-[(3R,4S)-4-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-phenylpiperidine-1-carbonyl]cyclohexyl]-2-(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)acetamide has a molecular weight of 682.66 g/mol, XLogP of 5.83, 8 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3R,4S)-4-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-phenylpiperidine-1-carbonyl]cyclohexyl]-2-(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)acetamide is sourced from PubChem (CID 91186990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).