N-[[1-[2-hydroxy-2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]acetamide

C17H26N2O3 — CID 111379146

IUPACN-[[1-[2-hydroxy-2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]acetamide
SMILESCOc1cccc(C(O)CN2CCCC(CNC(C)=O)C2)c1
InChIInChI=1S/C17H26N2O3/c1-13(20)18-10-14-5-4-8-19(11-14)12-17(21)15-6-3-7-16(9-15)22-2/h3,6-7,9,14,17,21H,4-5,8,10-12H2,1-2H3,(H,18,20)
InChIKeyDAMANHBCLZNFBM-UHFFFAOYSA-N
MW306.41 g/mol
LogP1.58
Rot. Bonds6

About N-[[1-[2-hydroxy-2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]acetamide

N-[[1-[2-hydroxy-2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]acetamide (PubChem CID 111379146) has the molecular formula C17H26N2O3 and a molecular weight of 306.41 g/mol. Its IUPAC name is N-[[1-[2-hydroxy-2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[1-[2-hydroxy-2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]acetamide
PubChem CID111379146
Molecular FormulaC17H26N2O3
Molecular Weight306.41 g/mol
Exact Mass306.19
IUPAC NameN-[[1-[2-hydroxy-2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]acetamide
SMILESCOc1cccc(C(O)CN2CCCC(CNC(C)=O)C2)c1
InChIInChI=1S/C17H26N2O3/c1-13(20)18-10-14-5-4-8-19(11-14)12-17(21)15-6-3-7-16(9-15)22-2/h3,6-7,9,14,17,21H,4-5,8,10-12H2,1-2H3,(H,18,20)
InChIKeyDAMANHBCLZNFBM-UHFFFAOYSA-N
XLogP1.58
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-N-methylpiperidine-3-carboxamide
CID 103670655
2-(3-ethylpyrrolidin-1-yl)-1-(3-methoxyphenyl)ethanol
CID 115688624
methyl 1-[2-hydroxy-2-(3-methoxyphenyl)ethyl]pyrrolidine-3-carboxylate
CID 78966764
1-(3-methoxyphenyl)-2-(3-methoxypyrrolidin-1-yl)ethanol
CID 103536862
2-[3-(1-aminoethyl)piperidin-1-yl]-1-(3-methoxyphenyl)ethanol
CID 81134246
1-(3-methoxyphenyl)-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethanol
CID 63165585
2-[1-[2-hydroxy-2-(3-methoxyphenyl)ethyl]piperidin-4-yl]acetic acid
CID 81134822
1-[1-[2-hydroxy-2-(3-methoxyphenyl)ethyl]pyrrolidin-2-yl]propan-2-one
CID 81133458
1-(cyclopropylmethyl)-3-[2-hydroxy-2-(3-methoxyphenyl)ethyl]urea
CID 111115133
N-[[(3S)-1-(2-methylpropyl)piperidin-3-yl]methyl]acetamide
CID 95187387
2-[1-[2-hydroxy-2-(3-methoxyphenyl)ethyl]azetidin-3-yl]propanoic acid
CID 116684103
N-[[1-[3-(4-fluorophenoxy)-2-hydroxypropyl]piperidin-3-yl]methyl]acetamide
CID 110908283

Frequently Asked Questions

What is the IUPAC name of N-[[1-[2-hydroxy-2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]acetamide?
The IUPAC name of N-[[1-[2-hydroxy-2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]acetamide (CID 111379146) is N-[[1-[2-hydroxy-2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]acetamide.
What is the SMILES notation for N-[[1-[2-hydroxy-2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]acetamide?
The canonical SMILES for N-[[1-[2-hydroxy-2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]acetamide is COc1cccc(C(O)CN2CCCC(CNC(C)=O)C2)c1.
What is the InChIKey of N-[[1-[2-hydroxy-2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]acetamide?
The InChIKey is DAMANHBCLZNFBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3/c1-13(20)18-10-14-5-4-8-19(11-14)12-17(21)15-6-3-7-16(9-15)22-2/h3,6-7,9,14,17,21H,4-5,8,10-12H2,1-2H3,(H,18,20).
What are the key properties of N-[[1-[2-hydroxy-2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]acetamide?
N-[[1-[2-hydroxy-2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]acetamide has a molecular weight of 306.41 g/mol, XLogP of 1.58, 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]piperidin-3-yl]methyl]acetamide is sourced from PubChem (CID 111379146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).