4-fluoro-N-[2-[4-(2-hydroxy-3-phenoxypropyl)piperazin-1-yl]-2-phenylethyl]benzamide

C28H32FN3O3 — CID 10435152

IUPAC4-fluoro-N-[2-[4-(2-hydroxy-3-phenoxypropyl)piperazin-1-yl]-2-phenylethyl]benzamide
SMILESO=C(NCC(c1ccccc1)N1CCN(CC(O)COc2ccccc2)CC1)c1ccc(F)cc1
InChIInChI=1S/C28H32FN3O3/c29-24-13-11-23(12-14-24)28(34)30-19-27(22-7-3-1-4-8-22)32-17-15-31(16-18-32)20-25(33)21-35-26-9-5-2-6-10-26/h1-14,25,27,33H,15-21H2,(H,30,34)
InChIKeyIVZIIWNEAMMPEW-UHFFFAOYSA-N
MW477.58 g/mol
LogP3.35
Rot. Bonds10

About 4-fluoro-N-[2-[4-(2-hydroxy-3-phenoxypropyl)piperazin-1-yl]-2-phenylethyl]benzamide

4-fluoro-N-[2-[4-(2-hydroxy-3-phenoxypropyl)piperazin-1-yl]-2-phenylethyl]benzamide (PubChem CID 10435152) has the molecular formula C28H32FN3O3 and a molecular weight of 477.58 g/mol. Its IUPAC name is 4-fluoro-N-[2-[4-(2-hydroxy-3-phenoxypropyl)piperazin-1-yl]-2-phenylethyl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[2-[4-(2-hydroxy-3-phenoxypropyl)piperazin-1-yl]-2-phenylethyl]benzamide
PubChem CID10435152
Molecular FormulaC28H32FN3O3
Molecular Weight477.58 g/mol
Exact Mass477.24
IUPAC Name4-fluoro-N-[2-[4-(2-hydroxy-3-phenoxypropyl)piperazin-1-yl]-2-phenylethyl]benzamide
SMILESO=C(NCC(c1ccccc1)N1CCN(CC(O)COc2ccccc2)CC1)c1ccc(F)cc1
InChIInChI=1S/C28H32FN3O3/c29-24-13-11-23(12-14-24)28(34)30-19-27(22-7-3-1-4-8-22)32-17-15-31(16-18-32)20-25(33)21-35-26-9-5-2-6-10-26/h1-14,25,27,33H,15-21H2,(H,30,34)
InChIKeyIVZIIWNEAMMPEW-UHFFFAOYSA-N
XLogP3.35
TPSA65.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.58
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

Tiropramide
CID 42262
Ro 8-4304
CID 9799515
N-[1-(cyanomethylcarbamoyl)cyclohexyl]-4-[4-[1-(2-hydroxyethyl)piperidin-4-yl]oxyphenyl]benzamide
CID 11562461
[(2S)-2-[2-(2,4-difluorophenoxy)ethyl]piperidin-1-yl]-(2-phenylphenyl)methanone
CID 56683774
1-[4-(2-Fluoro-benzoyl)-piperazin-1-yl]-2-phenoxy-ethanone
CID 695010
(2,6-Difluorophenyl)-[4-(2-phenoxyethyl)piperazin-1-yl]methanone
CID 2747477
1-(2-(3-(4-Benzylpiperazin-1-yl)-2-hydroxypropoxy)phenyl)-3-phenylpropan-1-one
CID 9846979
5-[3-(4-benzhydrylpiperazin-1-yl)-2-hydroxypropoxy]-2H-isoquinolin-1-one
CID 11754441
1-[2-[3-(4-Benzhydrylpiperazin-1-yl)-2-hydroxy-propoxy]phenyl]-3-phenyl-propan-1-one
CID 19958773
1-N-[(1R,2S)-3-(3,5-difluorophenyl)-1-hydroxy-1-[(2R,4S)-4-[(3-methoxyphenyl)methyl]piperidin-2-yl]propan-2-yl]-5-methyl-3-N,3-N-dipropylbenzene-1,3-dicarboxamide
CID 44455370
1-N-[(1R,2S)-3-(3,5-difluorophenyl)-1-hydroxy-1-[(2R,4S)-4-[(4-methoxyphenyl)methyl]piperidin-2-yl]propan-2-yl]-5-methyl-3-N,3-N-dipropylbenzene-1,3-dicarboxamide
CID 44455371
N-(1-benzylpiperidin-4-yl)-4-[[4-(trifluoromethyl)phenoxy]methyl]benzamide
CID 71585157

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[2-[4-(2-hydroxy-3-phenoxypropyl)piperazin-1-yl]-2-phenylethyl]benzamide?
The IUPAC name of 4-fluoro-N-[2-[4-(2-hydroxy-3-phenoxypropyl)piperazin-1-yl]-2-phenylethyl]benzamide (CID 10435152) is 4-fluoro-N-[2-[4-(2-hydroxy-3-phenoxypropyl)piperazin-1-yl]-2-phenylethyl]benzamide.
What is the SMILES notation for 4-fluoro-N-[2-[4-(2-hydroxy-3-phenoxypropyl)piperazin-1-yl]-2-phenylethyl]benzamide?
The canonical SMILES for 4-fluoro-N-[2-[4-(2-hydroxy-3-phenoxypropyl)piperazin-1-yl]-2-phenylethyl]benzamide is O=C(NCC(c1ccccc1)N1CCN(CC(O)COc2ccccc2)CC1)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-[2-[4-(2-hydroxy-3-phenoxypropyl)piperazin-1-yl]-2-phenylethyl]benzamide?
The InChIKey is IVZIIWNEAMMPEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32FN3O3/c29-24-13-11-23(12-14-24)28(34)30-19-27(22-7-3-1-4-8-22)32-17-15-31(16-18-32)20-25(33)21-35-26-9-5-2-6-10-26/h1-14,25,27,33H,15-21H2,(H,30,34).
What are the key properties of 4-fluoro-N-[2-[4-(2-hydroxy-3-phenoxypropyl)piperazin-1-yl]-2-phenylethyl]benzamide?
4-fluoro-N-[2-[4-(2-hydroxy-3-phenoxypropyl)piperazin-1-yl]-2-phenylethyl]benzamide has a molecular weight of 477.58 g/mol, XLogP of 3.35, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[2-[4-(2-hydroxy-3-phenoxypropyl)piperazin-1-yl]-2-phenylethyl]benzamide is sourced from PubChem (CID 10435152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).