N-[1-(3-hydroxypropyl)piperidin-4-yl]-2-(4-methoxyphenyl)-N-[(4-methylphenyl)methyl]acetamide

C25H34N2O3 — CID 10179783

IUPACN-[1-(3-hydroxypropyl)piperidin-4-yl]-2-(4-methoxyphenyl)-N-[(4-methylphenyl)methyl]acetamide
SMILESCOc1ccc(CC(=O)N(Cc2ccc(C)cc2)C2CCN(CCCO)CC2)cc1
InChIInChI=1S/C25H34N2O3/c1-20-4-6-22(7-5-20)19-27(23-12-15-26(16-13-23)14-3-17-28)25(29)18-21-8-10-24(30-2)11-9-21/h4-11,23,28H,3,12-19H2,1-2H3
InChIKeyLEJDYGPQBCLZAQ-UHFFFAOYSA-N
MW410.56 g/mol
LogP3.42
Rot. Bonds9

About N-[1-(3-hydroxypropyl)piperidin-4-yl]-2-(4-methoxyphenyl)-N-[(4-methylphenyl)methyl]acetamide

N-[1-(3-hydroxypropyl)piperidin-4-yl]-2-(4-methoxyphenyl)-N-[(4-methylphenyl)methyl]acetamide (PubChem CID 10179783) has the molecular formula C25H34N2O3 and a molecular weight of 410.56 g/mol. Its IUPAC name is N-[1-(3-hydroxypropyl)piperidin-4-yl]-2-(4-methoxyphenyl)-N-[(4-methylphenyl)methyl]acetamide.

Molecular Properties

Compound NameN-[1-(3-hydroxypropyl)piperidin-4-yl]-2-(4-methoxyphenyl)-N-[(4-methylphenyl)methyl]acetamide
PubChem CID10179783
Molecular FormulaC25H34N2O3
Molecular Weight410.56 g/mol
Exact Mass410.26
IUPAC NameN-[1-(3-hydroxypropyl)piperidin-4-yl]-2-(4-methoxyphenyl)-N-[(4-methylphenyl)methyl]acetamide
SMILESCOc1ccc(CC(=O)N(Cc2ccc(C)cc2)C2CCN(CCCO)CC2)cc1
InChIInChI=1S/C25H34N2O3/c1-20-4-6-22(7-5-20)19-27(23-12-15-26(16-13-23)14-3-17-28)25(29)18-21-8-10-24(30-2)11-9-21/h4-11,23,28H,3,12-19H2,1-2H3
InChIKeyLEJDYGPQBCLZAQ-UHFFFAOYSA-N
XLogP3.42
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.56
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[1-(3-hydroxypropyl)piperidin-4-yl]-2-(4-methoxyphenyl)-N-[(4-methylphenyl)methyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-hydroxypropyl)piperidin-4-yl]-2-(4-methoxyphenyl)-N-[(4-methylphenyl)methyl]acetamide?
The IUPAC name of N-[1-(3-hydroxypropyl)piperidin-4-yl]-2-(4-methoxyphenyl)-N-[(4-methylphenyl)methyl]acetamide (CID 10179783) is N-[1-(3-hydroxypropyl)piperidin-4-yl]-2-(4-methoxyphenyl)-N-[(4-methylphenyl)methyl]acetamide.
What is the SMILES notation for N-[1-(3-hydroxypropyl)piperidin-4-yl]-2-(4-methoxyphenyl)-N-[(4-methylphenyl)methyl]acetamide?
The canonical SMILES for N-[1-(3-hydroxypropyl)piperidin-4-yl]-2-(4-methoxyphenyl)-N-[(4-methylphenyl)methyl]acetamide is COc1ccc(CC(=O)N(Cc2ccc(C)cc2)C2CCN(CCCO)CC2)cc1.
What is the InChIKey of N-[1-(3-hydroxypropyl)piperidin-4-yl]-2-(4-methoxyphenyl)-N-[(4-methylphenyl)methyl]acetamide?
The InChIKey is LEJDYGPQBCLZAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N2O3/c1-20-4-6-22(7-5-20)19-27(23-12-15-26(16-13-23)14-3-17-28)25(29)18-21-8-10-24(30-2)11-9-21/h4-11,23,28H,3,12-19H2,1-2H3.
What are the key properties of N-[1-(3-hydroxypropyl)piperidin-4-yl]-2-(4-methoxyphenyl)-N-[(4-methylphenyl)methyl]acetamide?
N-[1-(3-hydroxypropyl)piperidin-4-yl]-2-(4-methoxyphenyl)-N-[(4-methylphenyl)methyl]acetamide has a molecular weight of 410.56 g/mol, XLogP of 3.42, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-hydroxypropyl)piperidin-4-yl]-2-(4-methoxyphenyl)-N-[(4-methylphenyl)methyl]acetamide is sourced from PubChem (CID 10179783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).