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

C26H35N3O2 — CID 135322817

IUPACN-[4-[[4-[[acetyl(methyl)amino]methyl]-4-(2-phenylethyl)piperidin-1-yl]methyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(CN2CCC(CCc3ccccc3)(CN(C)C(C)=O)CC2)cc1
InChIInChI=1S/C26H35N3O2/c1-21(30)27-25-11-9-24(10-12-25)19-29-17-15-26(16-18-29,20-28(3)22(2)31)14-13-23-7-5-4-6-8-23/h4-12H,13-20H2,1-3H3,(H,27,30)
InChIKeyWFFOQCUKMKXYGB-UHFFFAOYSA-N
MW421.59 g/mol
LogP4.34
Rot. Bonds8

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

N-[4-[[4-[[acetyl(methyl)amino]methyl]-4-(2-phenylethyl)piperidin-1-yl]methyl]phenyl]acetamide (PubChem CID 135322817) has the molecular formula C26H35N3O2 and a molecular weight of 421.59 g/mol. Its IUPAC name is N-[4-[[4-[[acetyl(methyl)amino]methyl]-4-(2-phenylethyl)piperidin-1-yl]methyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[4-[[acetyl(methyl)amino]methyl]-4-(2-phenylethyl)piperidin-1-yl]methyl]phenyl]acetamide
PubChem CID135322817
Molecular FormulaC26H35N3O2
Molecular Weight421.59 g/mol
Exact Mass421.27
IUPAC NameN-[4-[[4-[[acetyl(methyl)amino]methyl]-4-(2-phenylethyl)piperidin-1-yl]methyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(CN2CCC(CCc3ccccc3)(CN(C)C(C)=O)CC2)cc1
InChIInChI=1S/C26H35N3O2/c1-21(30)27-25-11-9-24(10-12-25)19-29-17-15-26(16-18-29,20-28(3)22(2)31)14-13-23-7-5-4-6-8-23/h4-12H,13-20H2,1-3H3,(H,27,30)
InChIKeyWFFOQCUKMKXYGB-UHFFFAOYSA-N
XLogP4.34
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.59
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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
[4-[[4-(ethoxymethyl)-4-(2-phenylethyl)piperidin-1-yl]methyl]phenyl]urea
CID 135322566
N-[4-[[4-(6-fluoro-2-pyridinyl)-4-(2-phenylethyl)piperidin-1-yl]methyl]phenyl]acetamide
CID 135323099
N-[4-[[3-phenyl-3-(2-phenylethyl)piperidin-1-yl]methyl]phenyl]acetamide
CID 167358492
N-[4-[[4-(ethoxymethyl)-4-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]methyl]phenyl]acetamide
CID 135323023
N-[4-[[3-(oxolan-2-yl)-3-(2-phenylethyl)pyrrolidin-1-yl]methyl]phenyl]acetamide
CID 135323234
N-[4-[(4-benzhydrylpiperidin-1-yl)methyl]phenyl]acetamide
CID 21424837
N-[4-[2-[[C-(4-benzylpiperazin-1-yl)-N-methylcarbonimidoyl]amino]ethyl]phenyl]acetamide;hydroiodide
CID 110959732
N-[4-[[4-(2-phenylethyl)-4-pyridin-2-ylpiperidin-1-yl]methyl]phenyl]pentanamide
CID 140909133
N-[4-[[4-[(3S)-2-oxo-1-(2-phenylethyl)azepan-3-yl]piperidin-1-yl]methyl]phenyl]acetamide
CID 95832143
N-[4-[[(3R)-3-(2-hydroxyethyl)-4-(2-phenylethyl)piperazin-1-yl]methyl]phenyl]acetamide
CID 93233392

Frequently Asked Questions

What is the IUPAC name of N-[4-[[4-[[acetyl(methyl)amino]methyl]-4-(2-phenylethyl)piperidin-1-yl]methyl]phenyl]acetamide?
The IUPAC name of N-[4-[[4-[[acetyl(methyl)amino]methyl]-4-(2-phenylethyl)piperidin-1-yl]methyl]phenyl]acetamide (CID 135322817) is N-[4-[[4-[[acetyl(methyl)amino]methyl]-4-(2-phenylethyl)piperidin-1-yl]methyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[[4-[[acetyl(methyl)amino]methyl]-4-(2-phenylethyl)piperidin-1-yl]methyl]phenyl]acetamide?
The canonical SMILES for N-[4-[[4-[[acetyl(methyl)amino]methyl]-4-(2-phenylethyl)piperidin-1-yl]methyl]phenyl]acetamide is CC(=O)Nc1ccc(CN2CCC(CCc3ccccc3)(CN(C)C(C)=O)CC2)cc1.
What is the InChIKey of N-[4-[[4-[[acetyl(methyl)amino]methyl]-4-(2-phenylethyl)piperidin-1-yl]methyl]phenyl]acetamide?
The InChIKey is WFFOQCUKMKXYGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N3O2/c1-21(30)27-25-11-9-24(10-12-25)19-29-17-15-26(16-18-29,20-28(3)22(2)31)14-13-23-7-5-4-6-8-23/h4-12H,13-20H2,1-3H3,(H,27,30).
What are the key properties of N-[4-[[4-[[acetyl(methyl)amino]methyl]-4-(2-phenylethyl)piperidin-1-yl]methyl]phenyl]acetamide?
N-[4-[[4-[[acetyl(methyl)amino]methyl]-4-(2-phenylethyl)piperidin-1-yl]methyl]phenyl]acetamide has a molecular weight of 421.59 g/mol, XLogP of 4.34, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[4-[[acetyl(methyl)amino]methyl]-4-(2-phenylethyl)piperidin-1-yl]methyl]phenyl]acetamide is sourced from PubChem (CID 135322817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).