N-[4-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]-3-(trifluoromethyl)phenyl]oxolane-3-carboxamide

C30H31F3N2O3 — CID 90316665

IUPACN-[4-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]-3-(trifluoromethyl)phenyl]oxolane-3-carboxamide
SMILESO=C(Nc1ccc(N2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)c(C(F)(F)F)c1)C1CCOC1
InChIInChI=1S/C30H31F3N2O3/c31-30(32,33)26-19-25(34-28(36)21-15-18-38-20-21)11-12-27(26)35-16-13-24(14-17-35)29(37,22-7-3-1-4-8-22)23-9-5-2-6-10-23/h1-12,19,21,24,37H,13-18,20H2,(H,34,36)
InChIKeyLYLBCVCOPVXRBP-UHFFFAOYSA-N
MW524.58 g/mol
LogP5.83
Rot. Bonds6

About N-[4-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]-3-(trifluoromethyl)phenyl]oxolane-3-carboxamide

N-[4-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]-3-(trifluoromethyl)phenyl]oxolane-3-carboxamide (PubChem CID 90316665) has the molecular formula C30H31F3N2O3 and a molecular weight of 524.58 g/mol. Its IUPAC name is N-[4-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]-3-(trifluoromethyl)phenyl]oxolane-3-carboxamide.

Molecular Properties

Compound NameN-[4-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]-3-(trifluoromethyl)phenyl]oxolane-3-carboxamide
PubChem CID90316665
Molecular FormulaC30H31F3N2O3
Molecular Weight524.58 g/mol
Exact Mass524.23
IUPAC NameN-[4-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]-3-(trifluoromethyl)phenyl]oxolane-3-carboxamide
SMILESO=C(Nc1ccc(N2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)c(C(F)(F)F)c1)C1CCOC1
InChIInChI=1S/C30H31F3N2O3/c31-30(32,33)26-19-25(34-28(36)21-15-18-38-20-21)11-12-27(26)35-16-13-24(14-17-35)29(37,22-7-3-1-4-8-22)23-9-5-2-6-10-23/h1-12,19,21,24,37H,13-18,20H2,(H,34,36)
InChIKeyLYLBCVCOPVXRBP-UHFFFAOYSA-N
XLogP5.83
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.58
LogP ≤ 55.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze N-[4-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]-3-(trifluoromethyl)phenyl]oxolane-3-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

(3S)-N-[4-(4-benzhydrylpiperazin-1-yl)-3-fluorophenyl]oxolane-3-carboxamide
CID 67678449
[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]-[(3R)-oxolan-3-yl]methanone
CID 95894763
N-[4-[4-[2-(diethylamino)-2-oxo-1-phenylethyl]piperidin-1-yl]-3-fluorophenyl]oxolane-3-carboxamide
CID 58870638
2-fluoro-5-(oxolane-3-carbonylamino)benzoic acid
CID 61270294
N-(3-cyano-4-piperazin-1-ylphenyl)oxolane-3-carboxamide
CID 57336447
N-(4-tert-butylphenyl)oxolane-3-carboxamide
CID 47443367
(3S)-N-[4-[4-[2-(diethylamino)-2-oxo-1-phenylethyl]piperazin-1-yl]-3-fluorophenyl]oxolane-3-carboxamide
CID 58870766
5-(oxolane-3-carbonylamino)-1-benzothiophene-2-carboxylic acid
CID 119223152
1-(oxane-4-carbonyl)-N-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide
CID 113007795
N-(3-methyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxolane-3-carboxamide
CID 78004870
4-[hydroxy(diphenyl)methyl]-N-[4-methoxy-3-(trifluoromethyl)phenyl]piperidine-1-carbothioamide
CID 70696289
N-(3-chlorophenyl)oxolane-3-carboxamide
CID 47443169

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]-3-(trifluoromethyl)phenyl]oxolane-3-carboxamide?
The IUPAC name of N-[4-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]-3-(trifluoromethyl)phenyl]oxolane-3-carboxamide (CID 90316665) is N-[4-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]-3-(trifluoromethyl)phenyl]oxolane-3-carboxamide.
What is the SMILES notation for N-[4-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]-3-(trifluoromethyl)phenyl]oxolane-3-carboxamide?
The canonical SMILES for N-[4-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]-3-(trifluoromethyl)phenyl]oxolane-3-carboxamide is O=C(Nc1ccc(N2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)c(C(F)(F)F)c1)C1CCOC1.
What is the InChIKey of N-[4-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]-3-(trifluoromethyl)phenyl]oxolane-3-carboxamide?
The InChIKey is LYLBCVCOPVXRBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31F3N2O3/c31-30(32,33)26-19-25(34-28(36)21-15-18-38-20-21)11-12-27(26)35-16-13-24(14-17-35)29(37,22-7-3-1-4-8-22)23-9-5-2-6-10-23/h1-12,19,21,24,37H,13-18,20H2,(H,34,36).
What are the key properties of N-[4-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]-3-(trifluoromethyl)phenyl]oxolane-3-carboxamide?
N-[4-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]-3-(trifluoromethyl)phenyl]oxolane-3-carboxamide has a molecular weight of 524.58 g/mol, XLogP of 5.83, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]-3-(trifluoromethyl)phenyl]oxolane-3-carboxamide is sourced from PubChem (CID 90316665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).