2-(3-methoxyphenyl)-N-[3-[1-(4-oxo-4-phenylbutyl)piperidin-4-yl]phenyl]acetamide

C30H34N2O3 — CID 22049519

IUPAC2-(3-methoxyphenyl)-N-[3-[1-(4-oxo-4-phenylbutyl)piperidin-4-yl]phenyl]acetamide
SMILESCOc1cccc(CC(=O)Nc2cccc(C3CCN(CCCC(=O)c4ccccc4)CC3)c2)c1
InChIInChI=1S/C30H34N2O3/c1-35-28-13-5-8-23(20-28)21-30(34)31-27-12-6-11-26(22-27)24-15-18-32(19-16-24)17-7-14-29(33)25-9-3-2-4-10-25/h2-6,8-13,20,22,24H,7,14-19,21H2,1H3,(H,31,34)
InChIKeyUMNHSSOLDUFTFF-UHFFFAOYSA-N
MW470.61 g/mol
LogP5.72
Rot. Bonds10

About 2-(3-methoxyphenyl)-N-[3-[1-(4-oxo-4-phenylbutyl)piperidin-4-yl]phenyl]acetamide

2-(3-methoxyphenyl)-N-[3-[1-(4-oxo-4-phenylbutyl)piperidin-4-yl]phenyl]acetamide (PubChem CID 22049519) has the molecular formula C30H34N2O3 and a molecular weight of 470.61 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)-N-[3-[1-(4-oxo-4-phenylbutyl)piperidin-4-yl]phenyl]acetamide.

Molecular Properties

Compound Name2-(3-methoxyphenyl)-N-[3-[1-(4-oxo-4-phenylbutyl)piperidin-4-yl]phenyl]acetamide
PubChem CID22049519
Molecular FormulaC30H34N2O3
Molecular Weight470.61 g/mol
Exact Mass470.26
IUPAC Name2-(3-methoxyphenyl)-N-[3-[1-(4-oxo-4-phenylbutyl)piperidin-4-yl]phenyl]acetamide
SMILESCOc1cccc(CC(=O)Nc2cccc(C3CCN(CCCC(=O)c4ccccc4)CC3)c2)c1
InChIInChI=1S/C30H34N2O3/c1-35-28-13-5-8-23(20-28)21-30(34)31-27-12-6-11-26(22-27)24-15-18-32(19-16-24)17-7-14-29(33)25-9-3-2-4-10-25/h2-6,8-13,20,22,24H,7,14-19,21H2,1H3,(H,31,34)
InChIKeyUMNHSSOLDUFTFF-UHFFFAOYSA-N
XLogP5.72
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.61
LogP ≤ 55.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[1-[4-oxo-4-(4-phenoxyphenyl)butyl]piperidin-4-yl]phenyl]propanamide
CID 22049474
2-methyl-N-[3-[1-(5-oxo-5-phenylpentyl)piperidin-4-yl]phenyl]propanamide
CID 22049393
4-[4-(3-methoxyphenyl)piperidin-1-yl]butanoic acid
CID 119135089
N-[3-[1-[4-(2,4-dimethoxyphenyl)-4-oxobutyl]piperidin-4-yl]phenyl]-2-methylpropanamide
CID 22048684
4-[3-[5-[4-(3-methoxyphenyl)piperidin-1-yl]pentanoylamino]phenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylic acid
CID 22911542
N-[3-[1-[4-(4-chlorophenyl)-4-oxobutyl]piperidin-4-yl]phenyl]acetamide
CID 16756402
N-[3-[1-[5-(4-fluorophenyl)-5-oxopentyl]piperidin-4-yl]phenyl]-2-methylpropanamide
CID 22049378
2-(3-methoxyphenyl)-N-phenylacetamide
CID 2598681
4-[4-(3-aminophenyl)piperidin-1-yl]-1-(4-phenoxyphenyl)butan-1-one
CID 22049070
2-(3-cyclopropylphenyl)-N-(4-methoxyphenyl)acetamide
CID 166236800
2-methyl-N-[3-[1-(3-phenylbut-3-enyl)piperidin-4-yl]phenyl]propanamide
CID 142203721
N-[3-[1-[3-[2-(3-methoxyphenyl)benzimidazol-1-yl]propyl]piperidin-4-yl]phenyl]acetamide
CID 25116307

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenyl)-N-[3-[1-(4-oxo-4-phenylbutyl)piperidin-4-yl]phenyl]acetamide?
The IUPAC name of 2-(3-methoxyphenyl)-N-[3-[1-(4-oxo-4-phenylbutyl)piperidin-4-yl]phenyl]acetamide (CID 22049519) is 2-(3-methoxyphenyl)-N-[3-[1-(4-oxo-4-phenylbutyl)piperidin-4-yl]phenyl]acetamide.
What is the SMILES notation for 2-(3-methoxyphenyl)-N-[3-[1-(4-oxo-4-phenylbutyl)piperidin-4-yl]phenyl]acetamide?
The canonical SMILES for 2-(3-methoxyphenyl)-N-[3-[1-(4-oxo-4-phenylbutyl)piperidin-4-yl]phenyl]acetamide is COc1cccc(CC(=O)Nc2cccc(C3CCN(CCCC(=O)c4ccccc4)CC3)c2)c1.
What is the InChIKey of 2-(3-methoxyphenyl)-N-[3-[1-(4-oxo-4-phenylbutyl)piperidin-4-yl]phenyl]acetamide?
The InChIKey is UMNHSSOLDUFTFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34N2O3/c1-35-28-13-5-8-23(20-28)21-30(34)31-27-12-6-11-26(22-27)24-15-18-32(19-16-24)17-7-14-29(33)25-9-3-2-4-10-25/h2-6,8-13,20,22,24H,7,14-19,21H2,1H3,(H,31,34).
What are the key properties of 2-(3-methoxyphenyl)-N-[3-[1-(4-oxo-4-phenylbutyl)piperidin-4-yl]phenyl]acetamide?
2-(3-methoxyphenyl)-N-[3-[1-(4-oxo-4-phenylbutyl)piperidin-4-yl]phenyl]acetamide has a molecular weight of 470.61 g/mol, XLogP of 5.72, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenyl)-N-[3-[1-(4-oxo-4-phenylbutyl)piperidin-4-yl]phenyl]acetamide is sourced from PubChem (CID 22049519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).