N-[1-(2-hydroxyethyl)piperidin-4-yl]-2-(4-methoxyphenyl)-N-[(4-methylphenyl)methyl]acetamide

C24H32N2O3 — CID 10200791

IUPACN-[1-(2-hydroxyethyl)piperidin-4-yl]-2-(4-methoxyphenyl)-N-[(4-methylphenyl)methyl]acetamide
SMILESCOc1ccc(CC(=O)N(Cc2ccc(C)cc2)C2CCN(CCO)CC2)cc1
InChIInChI=1S/C24H32N2O3/c1-19-3-5-21(6-4-19)18-26(22-11-13-25(14-12-22)15-16-27)24(28)17-20-7-9-23(29-2)10-8-20/h3-10,22,27H,11-18H2,1-2H3
InChIKeyYFQJPYMIYDERMB-UHFFFAOYSA-N
MW396.53 g/mol
LogP3.03
Rot. Bonds8

About N-[1-(2-hydroxyethyl)piperidin-4-yl]-2-(4-methoxyphenyl)-N-[(4-methylphenyl)methyl]acetamide

N-[1-(2-hydroxyethyl)piperidin-4-yl]-2-(4-methoxyphenyl)-N-[(4-methylphenyl)methyl]acetamide (PubChem CID 10200791) has the molecular formula C24H32N2O3 and a molecular weight of 396.53 g/mol. Its IUPAC name is N-[1-(2-hydroxyethyl)piperidin-4-yl]-2-(4-methoxyphenyl)-N-[(4-methylphenyl)methyl]acetamide.

Molecular Properties

Compound NameN-[1-(2-hydroxyethyl)piperidin-4-yl]-2-(4-methoxyphenyl)-N-[(4-methylphenyl)methyl]acetamide
PubChem CID10200791
Molecular FormulaC24H32N2O3
Molecular Weight396.53 g/mol
Exact Mass396.24
IUPAC NameN-[1-(2-hydroxyethyl)piperidin-4-yl]-2-(4-methoxyphenyl)-N-[(4-methylphenyl)methyl]acetamide
SMILESCOc1ccc(CC(=O)N(Cc2ccc(C)cc2)C2CCN(CCO)CC2)cc1
InChIInChI=1S/C24H32N2O3/c1-19-3-5-21(6-4-19)18-26(22-11-13-25(14-12-22)15-16-27)24(28)17-20-7-9-23(29-2)10-8-20/h3-10,22,27H,11-18H2,1-2H3
InChIKeyYFQJPYMIYDERMB-UHFFFAOYSA-N
XLogP3.03
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.53
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2-hydroxyethyl)piperidin-4-yl]-2-(4-methoxyphenyl)-N-[(4-methylphenyl)methyl]acetamide?
The IUPAC name of N-[1-(2-hydroxyethyl)piperidin-4-yl]-2-(4-methoxyphenyl)-N-[(4-methylphenyl)methyl]acetamide (CID 10200791) is N-[1-(2-hydroxyethyl)piperidin-4-yl]-2-(4-methoxyphenyl)-N-[(4-methylphenyl)methyl]acetamide.
What is the SMILES notation for N-[1-(2-hydroxyethyl)piperidin-4-yl]-2-(4-methoxyphenyl)-N-[(4-methylphenyl)methyl]acetamide?
The canonical SMILES for N-[1-(2-hydroxyethyl)piperidin-4-yl]-2-(4-methoxyphenyl)-N-[(4-methylphenyl)methyl]acetamide is COc1ccc(CC(=O)N(Cc2ccc(C)cc2)C2CCN(CCO)CC2)cc1.
What is the InChIKey of N-[1-(2-hydroxyethyl)piperidin-4-yl]-2-(4-methoxyphenyl)-N-[(4-methylphenyl)methyl]acetamide?
The InChIKey is YFQJPYMIYDERMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O3/c1-19-3-5-21(6-4-19)18-26(22-11-13-25(14-12-22)15-16-27)24(28)17-20-7-9-23(29-2)10-8-20/h3-10,22,27H,11-18H2,1-2H3.
What are the key properties of N-[1-(2-hydroxyethyl)piperidin-4-yl]-2-(4-methoxyphenyl)-N-[(4-methylphenyl)methyl]acetamide?
N-[1-(2-hydroxyethyl)piperidin-4-yl]-2-(4-methoxyphenyl)-N-[(4-methylphenyl)methyl]acetamide has a molecular weight of 396.53 g/mol, XLogP of 3.03, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-hydroxyethyl)piperidin-4-yl]-2-(4-methoxyphenyl)-N-[(4-methylphenyl)methyl]acetamide is sourced from PubChem (CID 10200791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).