N-[4-[(1S)-1-hydroxy-2-[4-hydroxy-4-(3-methylphenyl)piperidin-1-yl]ethyl]phenyl]acetamide

C22H28N2O3 — CID 51501332

IUPACN-[4-[(1S)-1-hydroxy-2-[4-hydroxy-4-(3-methylphenyl)piperidin-1-yl]ethyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc([C@H](O)CN2CCC(O)(c3cccc(C)c3)CC2)cc1
InChIInChI=1S/C22H28N2O3/c1-16-4-3-5-19(14-16)22(27)10-12-24(13-11-22)15-21(26)18-6-8-20(9-7-18)23-17(2)25/h3-9,14,21,26-27H,10-13,15H2,1-2H3,(H,23,25)/t21-/m1/s1
InChIKeyGCVKQDRHTPCQCL-OAQYLSRUSA-N
MW368.48 g/mol
LogP2.97
Rot. Bonds5

About N-[4-[(1S)-1-hydroxy-2-[4-hydroxy-4-(3-methylphenyl)piperidin-1-yl]ethyl]phenyl]acetamide

N-[4-[(1S)-1-hydroxy-2-[4-hydroxy-4-(3-methylphenyl)piperidin-1-yl]ethyl]phenyl]acetamide (PubChem CID 51501332) has the molecular formula C22H28N2O3 and a molecular weight of 368.48 g/mol. Its IUPAC name is N-[4-[(1S)-1-hydroxy-2-[4-hydroxy-4-(3-methylphenyl)piperidin-1-yl]ethyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(1S)-1-hydroxy-2-[4-hydroxy-4-(3-methylphenyl)piperidin-1-yl]ethyl]phenyl]acetamide
PubChem CID51501332
Molecular FormulaC22H28N2O3
Molecular Weight368.48 g/mol
Exact Mass368.21
IUPAC NameN-[4-[(1S)-1-hydroxy-2-[4-hydroxy-4-(3-methylphenyl)piperidin-1-yl]ethyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc([C@H](O)CN2CCC(O)(c3cccc(C)c3)CC2)cc1
InChIInChI=1S/C22H28N2O3/c1-16-4-3-5-19(14-16)22(27)10-12-24(13-11-22)15-21(26)18-6-8-20(9-7-18)23-17(2)25/h3-9,14,21,26-27H,10-13,15H2,1-2H3,(H,23,25)/t21-/m1/s1
InChIKeyGCVKQDRHTPCQCL-OAQYLSRUSA-N
XLogP2.97
TPSA72.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 52.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2S)-2-(3,4-dimethylphenyl)-2-hydroxyethyl]-4-(3-methylphenyl)piperidin-4-ol
CID 51501390
1-[(2S)-2-(3,4-difluorophenyl)-2-hydroxyethyl]-4-(3-methylphenyl)piperidin-4-ol
CID 51503053
6-[1-hydroxy-2-[4-hydroxy-4-(3-methylphenyl)piperidin-1-yl]ethyl]-3,4-dihydro-1H-quinolin-2-one
CID 22736934
1-[2-hydroxy-2-(2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl)ethyl]-4-(3-methylphenyl)piperidin-4-ol
CID 46953607
1-ethyl-4-(3-methylphenyl)piperidin-4-ol
CID 60894273
N-[4-[(1S)-1-hydroxy-2-[(4S)-4-hydroxy-6,7-dimethylspiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl]ethyl]phenyl]acetamide
CID 51503404
1-[(2S)-2-hydroxy-2-(4-methylphenyl)ethyl]-4-(4-methoxyphenyl)piperidin-4-ol
CID 51501364
4-(1,3-benzodioxol-5-yl)-1-[(2S)-2-hydroxy-2-(4-methylphenyl)ethyl]piperidin-4-ol
CID 51501356
N-[4-[(1S)-1-hydroxy-2-[(4S)-4-hydroxyspiro[3,4-dihydrobenzo[h]chromene-2,4'-piperidine]-1'-yl]ethyl]phenyl]acetamide
CID 92550635
1-[(2R)-2-(4-chlorophenyl)-2-hydroxyethyl]-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol
CID 51501534
N-[1-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-4-phenylpiperidin-4-yl]acetamide
CID 110221442
N-[1-(2-hydroxy-2-naphthalen-2-ylethyl)-4-phenylpiperidin-4-yl]acetamide
CID 110221422

Frequently Asked Questions

What is the IUPAC name of N-[4-[(1S)-1-hydroxy-2-[4-hydroxy-4-(3-methylphenyl)piperidin-1-yl]ethyl]phenyl]acetamide?
The IUPAC name of N-[4-[(1S)-1-hydroxy-2-[4-hydroxy-4-(3-methylphenyl)piperidin-1-yl]ethyl]phenyl]acetamide (CID 51501332) is N-[4-[(1S)-1-hydroxy-2-[4-hydroxy-4-(3-methylphenyl)piperidin-1-yl]ethyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[(1S)-1-hydroxy-2-[4-hydroxy-4-(3-methylphenyl)piperidin-1-yl]ethyl]phenyl]acetamide?
The canonical SMILES for N-[4-[(1S)-1-hydroxy-2-[4-hydroxy-4-(3-methylphenyl)piperidin-1-yl]ethyl]phenyl]acetamide is CC(=O)Nc1ccc([C@H](O)CN2CCC(O)(c3cccc(C)c3)CC2)cc1.
What is the InChIKey of N-[4-[(1S)-1-hydroxy-2-[4-hydroxy-4-(3-methylphenyl)piperidin-1-yl]ethyl]phenyl]acetamide?
The InChIKey is GCVKQDRHTPCQCL-OAQYLSRUSA-N. The full InChI is InChI=1S/C22H28N2O3/c1-16-4-3-5-19(14-16)22(27)10-12-24(13-11-22)15-21(26)18-6-8-20(9-7-18)23-17(2)25/h3-9,14,21,26-27H,10-13,15H2,1-2H3,(H,23,25)/t21-/m1/s1.
What are the key properties of N-[4-[(1S)-1-hydroxy-2-[4-hydroxy-4-(3-methylphenyl)piperidin-1-yl]ethyl]phenyl]acetamide?
N-[4-[(1S)-1-hydroxy-2-[4-hydroxy-4-(3-methylphenyl)piperidin-1-yl]ethyl]phenyl]acetamide has a molecular weight of 368.48 g/mol, XLogP of 2.97, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(1S)-1-hydroxy-2-[4-hydroxy-4-(3-methylphenyl)piperidin-1-yl]ethyl]phenyl]acetamide is sourced from PubChem (CID 51501332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).