N-[4-[[3-phenyl-3-(2-phenylethyl)piperidin-1-yl]methyl]phenyl]acetamide

C28H32N2O — CID 167358492

IUPACN-[4-[[3-phenyl-3-(2-phenylethyl)piperidin-1-yl]methyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(CN2CCCC(CCc3ccccc3)(c3ccccc3)C2)cc1
InChIInChI=1S/C28H32N2O/c1-23(31)29-27-15-13-25(14-16-27)21-30-20-8-18-28(22-30,26-11-6-3-7-12-26)19-17-24-9-4-2-5-10-24/h2-7,9-16H,8,17-22H2,1H3,(H,29,31)
InChIKeyZXYHBRRNUSQPPW-UHFFFAOYSA-N
MW412.58 g/mol
LogP5.81
Rot. Bonds7

About N-[4-[[3-phenyl-3-(2-phenylethyl)piperidin-1-yl]methyl]phenyl]acetamide

N-[4-[[3-phenyl-3-(2-phenylethyl)piperidin-1-yl]methyl]phenyl]acetamide (PubChem CID 167358492) has the molecular formula C28H32N2O and a molecular weight of 412.58 g/mol. Its IUPAC name is N-[4-[[3-phenyl-3-(2-phenylethyl)piperidin-1-yl]methyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[3-phenyl-3-(2-phenylethyl)piperidin-1-yl]methyl]phenyl]acetamide
PubChem CID167358492
Molecular FormulaC28H32N2O
Molecular Weight412.58 g/mol
Exact Mass412.25
IUPAC NameN-[4-[[3-phenyl-3-(2-phenylethyl)piperidin-1-yl]methyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(CN2CCCC(CCc3ccccc3)(c3ccccc3)C2)cc1
InChIInChI=1S/C28H32N2O/c1-23(31)29-27-15-13-25(14-16-27)21-30-20-8-18-28(22-30,26-11-6-3-7-12-26)19-17-24-9-4-2-5-10-24/h2-7,9-16H,8,17-22H2,1H3,(H,29,31)
InChIKeyZXYHBRRNUSQPPW-UHFFFAOYSA-N
XLogP5.81
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.58
LogP ≤ 55.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-[[3-(oxolan-2-yl)-3-(2-phenylethyl)pyrrolidin-1-yl]methyl]phenyl]acetamide
CID 135323234
N-[4-[[(3S)-3-(ethoxymethyl)-3-(2-phenylethyl)pyrrolidin-1-yl]methyl]phenyl]acetamide
CID 135322598
N-[4-[[4-[(2S)-oxetan-2-yl]-4-(2-phenylethyl)piperidin-1-yl]methyl]phenyl]acetamide
CID 135329983
N-[4-[[4-(6-fluoro-2-pyridinyl)-4-(2-phenylethyl)piperidin-1-yl]methyl]phenyl]acetamide
CID 135323099
N-[4-[[4-[[acetyl(methyl)amino]methyl]-4-(2-phenylethyl)piperidin-1-yl]methyl]phenyl]acetamide
CID 135322817
2-[1-benzyl-3-(4-bromophenyl)piperidin-3-yl]acetamide
CID 130407618
N-[4-(2-pyrrolidin-1-ylethyl)phenyl]acetamide
CID 60575256
1-benzyl-3-(methylamino)piperidine-3-carboxylic acid
CID 43753689
N-[4-[2-(6-methyl-6-phenyl-1,3-oxazinan-3-yl)ethyl]phenyl]acetamide
CID 110180865
methyl (3S)-1-[(4-acetamidophenyl)methyl]-3-methylpyrrolidine-3-carboxylate
CID 97160325
N-[4-[[4-[(3S)-2-oxo-1-(2-phenylethyl)azepan-3-yl]piperidin-1-yl]methyl]phenyl]acetamide
CID 95832143
N-[4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]phenyl]acetamide
CID 23826694

Frequently Asked Questions

What is the IUPAC name of N-[4-[[3-phenyl-3-(2-phenylethyl)piperidin-1-yl]methyl]phenyl]acetamide?
The IUPAC name of N-[4-[[3-phenyl-3-(2-phenylethyl)piperidin-1-yl]methyl]phenyl]acetamide (CID 167358492) is N-[4-[[3-phenyl-3-(2-phenylethyl)piperidin-1-yl]methyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[[3-phenyl-3-(2-phenylethyl)piperidin-1-yl]methyl]phenyl]acetamide?
The canonical SMILES for N-[4-[[3-phenyl-3-(2-phenylethyl)piperidin-1-yl]methyl]phenyl]acetamide is CC(=O)Nc1ccc(CN2CCCC(CCc3ccccc3)(c3ccccc3)C2)cc1.
What is the InChIKey of N-[4-[[3-phenyl-3-(2-phenylethyl)piperidin-1-yl]methyl]phenyl]acetamide?
The InChIKey is ZXYHBRRNUSQPPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N2O/c1-23(31)29-27-15-13-25(14-16-27)21-30-20-8-18-28(22-30,26-11-6-3-7-12-26)19-17-24-9-4-2-5-10-24/h2-7,9-16H,8,17-22H2,1H3,(H,29,31).
What are the key properties of N-[4-[[3-phenyl-3-(2-phenylethyl)piperidin-1-yl]methyl]phenyl]acetamide?
N-[4-[[3-phenyl-3-(2-phenylethyl)piperidin-1-yl]methyl]phenyl]acetamide has a molecular weight of 412.58 g/mol, XLogP of 5.81, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[3-phenyl-3-(2-phenylethyl)piperidin-1-yl]methyl]phenyl]acetamide is sourced from PubChem (CID 167358492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).