N-[1-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-4-phenylpiperidin-4-yl]acetamide

C22H28N2O3 — CID 110221442

IUPACN-[1-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-4-phenylpiperidin-4-yl]acetamide
SMILESCOc1cccc(C(O)CN2CCC(NC(C)=O)(c3ccccc3)CC2)c1
InChIInChI=1S/C22H28N2O3/c1-17(25)23-22(19-8-4-3-5-9-19)11-13-24(14-12-22)16-21(26)18-7-6-10-20(15-18)27-2/h3-10,15,21,26H,11-14,16H2,1-2H3,(H,23,25)
InChIKeyPLEUFNVCNNKILU-UHFFFAOYSA-N
MW368.48 g/mol
LogP2.86
Rot. Bonds6

About N-[1-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-4-phenylpiperidin-4-yl]acetamide

N-[1-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-4-phenylpiperidin-4-yl]acetamide (PubChem CID 110221442) has the molecular formula C22H28N2O3 and a molecular weight of 368.48 g/mol. Its IUPAC name is N-[1-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-4-phenylpiperidin-4-yl]acetamide.

Molecular Properties

Compound NameN-[1-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-4-phenylpiperidin-4-yl]acetamide
PubChem CID110221442
Molecular FormulaC22H28N2O3
Molecular Weight368.48 g/mol
Exact Mass368.21
IUPAC NameN-[1-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-4-phenylpiperidin-4-yl]acetamide
SMILESCOc1cccc(C(O)CN2CCC(NC(C)=O)(c3ccccc3)CC2)c1
InChIInChI=1S/C22H28N2O3/c1-17(25)23-22(19-8-4-3-5-9-19)11-13-24(14-12-22)16-21(26)18-7-6-10-20(15-18)27-2/h3-10,15,21,26H,11-14,16H2,1-2H3,(H,23,25)
InChIKeyPLEUFNVCNNKILU-UHFFFAOYSA-N
XLogP2.86
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(2-hydroxy-2-naphthalen-2-ylethyl)-4-phenylpiperidin-4-yl]acetamide
CID 110221422
N-[1-[2-hydroxy-2-(1-propanoyl-2,3-dihydroindol-5-yl)ethyl]-4-phenylpiperidin-4-yl]acetamide
CID 110220887
N-[4-(4-fluorophenyl)-1-[2-(4-fluorophenyl)-2-hydroxyethyl]piperidin-4-yl]acetamide
CID 110221431
2-[1-[2-hydroxy-2-(3-methoxyphenyl)ethyl]piperidin-4-yl]acetic acid
CID 81134822
4-(2-fluorophenyl)-1-[(2S)-2-hydroxy-2-(3-methoxyphenyl)ethyl]piperidin-4-ol
CID 51501596
N-[4-(4-fluorophenyl)-1-[2-hydroxy-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]piperidin-4-yl]acetamide
CID 110221450
2-(1,3-dihydroisoindol-2-yl)-1-(3-methoxyphenyl)ethanol
CID 62231335
2-[4-[2-hydroxy-2-(3-methoxyphenyl)ethyl]piperazin-1-yl]cyclohepta-2,4,6-trien-1-one
CID 15592159
2-[4-(2-hydroxyethyl)piperazin-1-yl]-1-(3-methoxyphenyl)ethanol
CID 112706792
1-[(2R)-2-hydroxy-2-(3-methoxyphenyl)ethyl]-4-[4-(trifluoromethyl)phenyl]piperidin-4-ol
CID 51501610
2-[1-[2-hydroxy-2-(3-methoxyphenyl)ethyl]azetidin-3-yl]propanoic acid
CID 116684103
methyl 1-[2-hydroxy-2-(3-methoxyphenyl)ethyl]pyrrolidine-3-carboxylate
CID 78966764

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-4-phenylpiperidin-4-yl]acetamide?
The IUPAC name of N-[1-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-4-phenylpiperidin-4-yl]acetamide (CID 110221442) is N-[1-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-4-phenylpiperidin-4-yl]acetamide.
What is the SMILES notation for N-[1-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-4-phenylpiperidin-4-yl]acetamide?
The canonical SMILES for N-[1-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-4-phenylpiperidin-4-yl]acetamide is COc1cccc(C(O)CN2CCC(NC(C)=O)(c3ccccc3)CC2)c1.
What is the InChIKey of N-[1-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-4-phenylpiperidin-4-yl]acetamide?
The InChIKey is PLEUFNVCNNKILU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O3/c1-17(25)23-22(19-8-4-3-5-9-19)11-13-24(14-12-22)16-21(26)18-7-6-10-20(15-18)27-2/h3-10,15,21,26H,11-14,16H2,1-2H3,(H,23,25).
What are the key properties of N-[1-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-4-phenylpiperidin-4-yl]acetamide?
N-[1-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-4-phenylpiperidin-4-yl]acetamide has a molecular weight of 368.48 g/mol, XLogP of 2.86, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-4-phenylpiperidin-4-yl]acetamide is sourced from PubChem (CID 110221442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).