N-[2-[3-[[1-[(4-fluorophenyl)methyl]piperidin-4-yl]amino]-2-hydroxypropoxy]-4-methylphenyl]acetamide

C24H32FN3O3 — CID 10159723

IUPACN-[2-[3-[[1-[(4-fluorophenyl)methyl]piperidin-4-yl]amino]-2-hydroxypropoxy]-4-methylphenyl]acetamide
SMILESCC(=O)Nc1ccc(C)cc1OCC(O)CNC1CCN(Cc2ccc(F)cc2)CC1
InChIInChI=1S/C24H32FN3O3/c1-17-3-8-23(27-18(2)29)24(13-17)31-16-22(30)14-26-21-9-11-28(12-10-21)15-19-4-6-20(25)7-5-19/h3-8,13,21-22,26,30H,9-12,14-16H2,1-2H3,(H,27,29)
InChIKeyHNRGYRDDEBEHOH-UHFFFAOYSA-N
MW429.54 g/mol
LogP3.09
Rot. Bonds9

About N-[2-[3-[[1-[(4-fluorophenyl)methyl]piperidin-4-yl]amino]-2-hydroxypropoxy]-4-methylphenyl]acetamide

N-[2-[3-[[1-[(4-fluorophenyl)methyl]piperidin-4-yl]amino]-2-hydroxypropoxy]-4-methylphenyl]acetamide (PubChem CID 10159723) has the molecular formula C24H32FN3O3 and a molecular weight of 429.54 g/mol. Its IUPAC name is N-[2-[3-[[1-[(4-fluorophenyl)methyl]piperidin-4-yl]amino]-2-hydroxypropoxy]-4-methylphenyl]acetamide.

Molecular Properties

Compound NameN-[2-[3-[[1-[(4-fluorophenyl)methyl]piperidin-4-yl]amino]-2-hydroxypropoxy]-4-methylphenyl]acetamide
PubChem CID10159723
Molecular FormulaC24H32FN3O3
Molecular Weight429.54 g/mol
Exact Mass429.24
IUPAC NameN-[2-[3-[[1-[(4-fluorophenyl)methyl]piperidin-4-yl]amino]-2-hydroxypropoxy]-4-methylphenyl]acetamide
SMILESCC(=O)Nc1ccc(C)cc1OCC(O)CNC1CCN(Cc2ccc(F)cc2)CC1
InChIInChI=1S/C24H32FN3O3/c1-17-3-8-23(27-18(2)29)24(13-17)31-16-22(30)14-26-21-9-11-28(12-10-21)15-19-4-6-20(25)7-5-19/h3-8,13,21-22,26,30H,9-12,14-16H2,1-2H3,(H,27,29)
InChIKeyHNRGYRDDEBEHOH-UHFFFAOYSA-N
XLogP3.09
TPSA73.83 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.54
LogP ≤ 53.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-fluoro-2-[(2S)-3-[[1-[(4-fluorophenyl)methyl]piperidin-4-yl]amino]-2-hydroxypropoxy]phenyl]acetamide
CID 10159975
N-[4-chloro-2-[(2R)-3-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]amino]-2-hydroxypropoxy]phenyl]acetamide
CID 67120191
1-[(1-benzylpiperidin-4-yl)amino]-3-(3-methylphenoxy)propan-2-ol
CID 3633998
2-[2-[(2S)-3-[[1-[(2,5-dimethylphenyl)methyl]piperidin-4-yl]amino]-2-hydroxypropoxy]phenyl]acetic acid
CID 16657402
1-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-3-(5-methyl-2-propan-2-ylphenoxy)propan-2-ol
CID 23940413
N-[4-fluoro-2-[3-[3-(4-fluorophenoxy)pyrrolidin-1-yl]-2-hydroxypropoxy]phenyl]acetamide
CID 10136007
N-[2-[(2S)-3-[[(3S)-3-[(4-chlorophenyl)methyl]pyrrolidin-1-yl]amino]-2-hydroxypropoxy]-4-fluorophenyl]acetamide
CID 70041432
2-[2-[(2S)-3-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]amino]-2-hydroxypropoxy]phenyl]propanoic acid;bis(2,2,2-trifluoroacetic acid)
CID 87486047
2-[2-[(2S)-3-[[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]amino]-2-hydroxypropoxy]phenyl]acetic acid;bis(2,2,2-trifluoroacetic acid)
CID 87485938
N-[2-[3-[[(3R)-1-[(4-chlorophenyl)methyl]pyrrolidin-3-yl]amino]-2-hydroxypropoxy]phenyl]benzamide
CID 10184291
N-[2-[3-[[(3S)-1-[(4-chlorophenyl)methyl]pyrrolidin-3-yl]amino]-2-hydroxypropoxy]phenyl]benzamide
CID 10206038
1-(cyclobutylamino)-3-(2,5-dimethylphenoxy)propan-2-ol
CID 62415346

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-[[1-[(4-fluorophenyl)methyl]piperidin-4-yl]amino]-2-hydroxypropoxy]-4-methylphenyl]acetamide?
The IUPAC name of N-[2-[3-[[1-[(4-fluorophenyl)methyl]piperidin-4-yl]amino]-2-hydroxypropoxy]-4-methylphenyl]acetamide (CID 10159723) is N-[2-[3-[[1-[(4-fluorophenyl)methyl]piperidin-4-yl]amino]-2-hydroxypropoxy]-4-methylphenyl]acetamide.
What is the SMILES notation for N-[2-[3-[[1-[(4-fluorophenyl)methyl]piperidin-4-yl]amino]-2-hydroxypropoxy]-4-methylphenyl]acetamide?
The canonical SMILES for N-[2-[3-[[1-[(4-fluorophenyl)methyl]piperidin-4-yl]amino]-2-hydroxypropoxy]-4-methylphenyl]acetamide is CC(=O)Nc1ccc(C)cc1OCC(O)CNC1CCN(Cc2ccc(F)cc2)CC1.
What is the InChIKey of N-[2-[3-[[1-[(4-fluorophenyl)methyl]piperidin-4-yl]amino]-2-hydroxypropoxy]-4-methylphenyl]acetamide?
The InChIKey is HNRGYRDDEBEHOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32FN3O3/c1-17-3-8-23(27-18(2)29)24(13-17)31-16-22(30)14-26-21-9-11-28(12-10-21)15-19-4-6-20(25)7-5-19/h3-8,13,21-22,26,30H,9-12,14-16H2,1-2H3,(H,27,29).
What are the key properties of N-[2-[3-[[1-[(4-fluorophenyl)methyl]piperidin-4-yl]amino]-2-hydroxypropoxy]-4-methylphenyl]acetamide?
N-[2-[3-[[1-[(4-fluorophenyl)methyl]piperidin-4-yl]amino]-2-hydroxypropoxy]-4-methylphenyl]acetamide has a molecular weight of 429.54 g/mol, XLogP of 3.09, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-[[1-[(4-fluorophenyl)methyl]piperidin-4-yl]amino]-2-hydroxypropoxy]-4-methylphenyl]acetamide is sourced from PubChem (CID 10159723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).