N-[1-(3,4-dichlorophenyl)-3-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]propyl]-2-phenylacetamide

C29H29Cl2F3N2O2 — CID 44536576

IUPACN-[1-(3,4-dichlorophenyl)-3-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]propyl]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)NC(CCN1CCC(O)(c2cccc(C(F)(F)F)c2)CC1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C29H29Cl2F3N2O2/c30-24-10-9-21(18-25(24)31)26(35-27(37)17-20-5-2-1-3-6-20)11-14-36-15-12-28(38,13-16-36)22-7-4-8-23(19-22)29(32,33)34/h1-10,18-19,26,38H,11-17H2,(H,35,37)
InChIKeyHFCMAYCVLYRNFC-UHFFFAOYSA-N
MW565.46 g/mol
LogP6.79
Rot. Bonds8

About N-[1-(3,4-dichlorophenyl)-3-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]propyl]-2-phenylacetamide

N-[1-(3,4-dichlorophenyl)-3-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]propyl]-2-phenylacetamide (PubChem CID 44536576) has the molecular formula C29H29Cl2F3N2O2 and a molecular weight of 565.46 g/mol. Its IUPAC name is N-[1-(3,4-dichlorophenyl)-3-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]propyl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[1-(3,4-dichlorophenyl)-3-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]propyl]-2-phenylacetamide
PubChem CID44536576
Molecular FormulaC29H29Cl2F3N2O2
Molecular Weight565.46 g/mol
Exact Mass564.16
IUPAC NameN-[1-(3,4-dichlorophenyl)-3-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]propyl]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)NC(CCN1CCC(O)(c2cccc(C(F)(F)F)c2)CC1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C29H29Cl2F3N2O2/c30-24-10-9-21(18-25(24)31)26(35-27(37)17-20-5-2-1-3-6-20)11-14-36-15-12-28(38,13-16-36)22-7-4-8-23(19-22)29(32,33)34/h1-10,18-19,26,38H,11-17H2,(H,35,37)
InChIKeyHFCMAYCVLYRNFC-UHFFFAOYSA-N
XLogP6.79
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500565.46
LogP ≤ 56.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(3,4-Dichlorophenyl)-4-(4-hydroxy-4-phenylpiperidino)butyl]-N-methylbenzamide
CID 18964186
1-Benzyl-5-(3,4-dichlorophenyl)-5-[2-(4-hydroxy-4-phenylpiperidin-1-yl)ethyl]piperidin-2-one
CID 21699577
N-{3-(3,4-Dichloro-phenyl)-5-(4-hydroxy-4-phenyl-piperidin-1-yl)-2-[(Z)-methoxyimino]-pentyl}-3,5-bis-trifluoromethyl-benzamide
CID 10394882
(3S,4R)-N-cyclopropyl-N-[(2,3-dichlorophenyl)methyl]-4-(3,4-difluorophenyl)-4-hydroxypiperidine-3-carboxamide
CID 42642010
N-{3-(3,4-Dichloro-phenyl)-5-(4-hydroxy-4-phenyl-piperidin-1-yl)-2-[(Z)-methoxyimino]-pentyl}-N-methyl-3,5-bis-trifluoromethyl-benzamide
CID 10032693
(2Z)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3-(3,4-dichlorophenyl)-5-(4-hydroxy-4-phenylpiperidin-1-yl)-2-methoxyimino-N-methylpentanamide
CID 44281957
N-[1-(3,4-dichlorophenyl)-4-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylbutyl]-3,5-bis(trifluoromethyl)benzamide
CID 44536885
2-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-N-cyclopentyl-2-(4-fluorophenyl)acetamide
CID 53384157
N-[3-(3,4-dichlorophenyl)-5-(4-hydroxy-4-phenylpiperidin-1-yl)-2-methoxyiminopentyl]-3,5-bis(trifluoromethyl)benzamide
CID 49824392
N-[2-(3,4-dichlorophenyl)-4-(4-hydroxy-4-phenylpiperidin-1-yl)butyl]-N-methyl-3-[3-(trifluoromethyl)diazirin-3-yl]benzamide
CID 10394084
2-[3,5-bis(trifluoromethyl)phenyl]-N-[2-(3,4-dichlorophenyl)-2-(4-hydroxy-4-phenylpiperidin-1-yl)ethyl]-N-methylacetamide
CID 15434907
N-[(2R)-2-(3,4-dichlorophenyl)-4-(4-hydroxy-4-phenylpiperidin-1-yl)butyl]-N-methylbenzamide
CID 44394115

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-dichlorophenyl)-3-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]propyl]-2-phenylacetamide?
The IUPAC name of N-[1-(3,4-dichlorophenyl)-3-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]propyl]-2-phenylacetamide (CID 44536576) is N-[1-(3,4-dichlorophenyl)-3-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]propyl]-2-phenylacetamide.
What is the SMILES notation for N-[1-(3,4-dichlorophenyl)-3-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]propyl]-2-phenylacetamide?
The canonical SMILES for N-[1-(3,4-dichlorophenyl)-3-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]propyl]-2-phenylacetamide is O=C(Cc1ccccc1)NC(CCN1CCC(O)(c2cccc(C(F)(F)F)c2)CC1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-[1-(3,4-dichlorophenyl)-3-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]propyl]-2-phenylacetamide?
The InChIKey is HFCMAYCVLYRNFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29Cl2F3N2O2/c30-24-10-9-21(18-25(24)31)26(35-27(37)17-20-5-2-1-3-6-20)11-14-36-15-12-28(38,13-16-36)22-7-4-8-23(19-22)29(32,33)34/h1-10,18-19,26,38H,11-17H2,(H,35,37).
What are the key properties of N-[1-(3,4-dichlorophenyl)-3-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]propyl]-2-phenylacetamide?
N-[1-(3,4-dichlorophenyl)-3-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]propyl]-2-phenylacetamide has a molecular weight of 565.46 g/mol, XLogP of 6.79, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-dichlorophenyl)-3-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]propyl]-2-phenylacetamide is sourced from PubChem (CID 44536576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).