N-[5-fluoro-2-[4-(4-hydroxypiperidin-1-yl)butanoyl]phenyl]-2-phenylacetamide;2-(trifluoromethyl)bicyclo[3.1.0]hexa-1,3,5-triene

C30H30F4N2O3 — CID 21390731

IUPACN-[5-fluoro-2-[4-(4-hydroxypiperidin-1-yl)butanoyl]phenyl]-2-phenylacetamide;2-(trifluoromethyl)bicyclo[3.1.0]hexa-1,3,5-triene
SMILESFC(F)(F)c1ccc2cc1-2.O=C(Cc1ccccc1)Nc1cc(F)ccc1C(=O)CCCN1CCC(O)CC1
InChIInChI=1S/C23H27FN2O3.C7H3F3/c24-18-8-9-20(22(28)7-4-12-26-13-10-19(27)11-14-26)21(16-18)25-23(29)15-17-5-2-1-3-6-17;8-7(9,10)6-2-1-4-3-5(4)6/h1-3,5-6,8-9,16,19,27H,4,7,10-15H2,(H,25,29);1-3H
InChIKeyWGJUPUSWNZQDNG-UHFFFAOYSA-N
MW542.57 g/mol
LogP6.11
Rot. Bonds8

About N-[5-fluoro-2-[4-(4-hydroxypiperidin-1-yl)butanoyl]phenyl]-2-phenylacetamide;2-(trifluoromethyl)bicyclo[3.1.0]hexa-1,3,5-triene

N-[5-fluoro-2-[4-(4-hydroxypiperidin-1-yl)butanoyl]phenyl]-2-phenylacetamide;2-(trifluoromethyl)bicyclo[3.1.0]hexa-1,3,5-triene (PubChem CID 21390731) has the molecular formula C30H30F4N2O3 and a molecular weight of 542.57 g/mol. Its IUPAC name is N-[5-fluoro-2-[4-(4-hydroxypiperidin-1-yl)butanoyl]phenyl]-2-phenylacetamide;2-(trifluoromethyl)bicyclo[3.1.0]hexa-1,3,5-triene.

Molecular Properties

Compound NameN-[5-fluoro-2-[4-(4-hydroxypiperidin-1-yl)butanoyl]phenyl]-2-phenylacetamide;2-(trifluoromethyl)bicyclo[3.1.0]hexa-1,3,5-triene
PubChem CID21390731
Molecular FormulaC30H30F4N2O3
Molecular Weight542.57 g/mol
Exact Mass542.22
IUPAC NameN-[5-fluoro-2-[4-(4-hydroxypiperidin-1-yl)butanoyl]phenyl]-2-phenylacetamide;2-(trifluoromethyl)bicyclo[3.1.0]hexa-1,3,5-triene
SMILESFC(F)(F)c1ccc2cc1-2.O=C(Cc1ccccc1)Nc1cc(F)ccc1C(=O)CCCN1CCC(O)CC1
InChIInChI=1S/C23H27FN2O3.C7H3F3/c24-18-8-9-20(22(28)7-4-12-26-13-10-19(27)11-14-26)21(16-18)25-23(29)15-17-5-2-1-3-6-17;8-7(9,10)6-2-1-4-3-5(4)6/h1-3,5-6,8-9,16,19,27H,4,7,10-15H2,(H,25,29);1-3H
InChIKeyWGJUPUSWNZQDNG-UHFFFAOYSA-N
XLogP6.11
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500542.57
LogP ≤ 56.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-fluoro-2-[4-(4-hydroxypiperidin-1-yl)butanoyl]phenyl]benzamide;2-(trifluoromethyl)bicyclo[3.1.0]hexa-1,3,5-triene
CID 21390749
1-(4-fluorophenyl)-4-(4-hydroxypiperidin-1-yl)butan-1-one;hydrochloride
CID 29733
2-[4-[2-(2,5-difluoroanilino)-2-oxoethyl]piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 39777880
N-[3-(4-hydroxypiperidin-1-yl)propyl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 111429533
N-(2-benzylphenyl)-2-(4-hydroxypiperidin-1-yl)acetamide
CID 39902316
N-(3-fluorophenyl)-3-(4-hydroxypiperidin-1-yl)propanamide
CID 43037946
4-fluoro-2-[[2-(4-hydroxyphenyl)acetyl]amino]benzoic acid
CID 28934222
2-fluoro-N-[5-fluoro-2-(4-phenylbutanoyl)phenyl]benzamide
CID 148674370
1-(4-fluoro-2-hydroxyphenyl)-4-[4-[2-(N-phenylanilino)ethyl]piperazin-1-yl]butan-1-one
CID 70590386
3-(2,5-difluorophenyl)-N-[3-(4-hydroxypiperidin-1-yl)propyl]propanamide
CID 111429680
N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-2-[(3R)-3-hydroxypyrrolidin-1-yl]acetamide
CID 111334020
2-[3-(3-fluorophenyl)-4-(trifluoromethyl)phenyl]benzoic acid
CID 46313199

Frequently Asked Questions

What is the IUPAC name of N-[5-fluoro-2-[4-(4-hydroxypiperidin-1-yl)butanoyl]phenyl]-2-phenylacetamide;2-(trifluoromethyl)bicyclo[3.1.0]hexa-1,3,5-triene?
The IUPAC name of N-[5-fluoro-2-[4-(4-hydroxypiperidin-1-yl)butanoyl]phenyl]-2-phenylacetamide;2-(trifluoromethyl)bicyclo[3.1.0]hexa-1,3,5-triene (CID 21390731) is N-[5-fluoro-2-[4-(4-hydroxypiperidin-1-yl)butanoyl]phenyl]-2-phenylacetamide;2-(trifluoromethyl)bicyclo[3.1.0]hexa-1,3,5-triene.
What is the SMILES notation for N-[5-fluoro-2-[4-(4-hydroxypiperidin-1-yl)butanoyl]phenyl]-2-phenylacetamide;2-(trifluoromethyl)bicyclo[3.1.0]hexa-1,3,5-triene?
The canonical SMILES for N-[5-fluoro-2-[4-(4-hydroxypiperidin-1-yl)butanoyl]phenyl]-2-phenylacetamide;2-(trifluoromethyl)bicyclo[3.1.0]hexa-1,3,5-triene is FC(F)(F)c1ccc2cc1-2.O=C(Cc1ccccc1)Nc1cc(F)ccc1C(=O)CCCN1CCC(O)CC1.
What is the InChIKey of N-[5-fluoro-2-[4-(4-hydroxypiperidin-1-yl)butanoyl]phenyl]-2-phenylacetamide;2-(trifluoromethyl)bicyclo[3.1.0]hexa-1,3,5-triene?
The InChIKey is WGJUPUSWNZQDNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27FN2O3.C7H3F3/c24-18-8-9-20(22(28)7-4-12-26-13-10-19(27)11-14-26)21(16-18)25-23(29)15-17-5-2-1-3-6-17;8-7(9,10)6-2-1-4-3-5(4)6/h1-3,5-6,8-9,16,19,27H,4,7,10-15H2,(H,25,29);1-3H.
What are the key properties of N-[5-fluoro-2-[4-(4-hydroxypiperidin-1-yl)butanoyl]phenyl]-2-phenylacetamide;2-(trifluoromethyl)bicyclo[3.1.0]hexa-1,3,5-triene?
N-[5-fluoro-2-[4-(4-hydroxypiperidin-1-yl)butanoyl]phenyl]-2-phenylacetamide;2-(trifluoromethyl)bicyclo[3.1.0]hexa-1,3,5-triene has a molecular weight of 542.57 g/mol, XLogP of 6.11, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-fluoro-2-[4-(4-hydroxypiperidin-1-yl)butanoyl]phenyl]-2-phenylacetamide;2-(trifluoromethyl)bicyclo[3.1.0]hexa-1,3,5-triene is sourced from PubChem (CID 21390731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).