N-[1-[(3-methoxy-5-phenylphenyl)methyl]-4-methylpiperidin-4-yl]acetamide

C22H28N2O2 — CID 134807420

IUPACN-[1-[(3-methoxy-5-phenylphenyl)methyl]-4-methylpiperidin-4-yl]acetamide
SMILESCOc1cc(CN2CCC(C)(NC(C)=O)CC2)cc(-c2ccccc2)c1
InChIInChI=1S/C22H28N2O2/c1-17(25)23-22(2)9-11-24(12-10-22)16-18-13-20(15-21(14-18)26-3)19-7-5-4-6-8-19/h4-8,13-15H,9-12,16H2,1-3H3,(H,23,25)
InChIKeyYXQIMQMAZATUQQ-UHFFFAOYSA-N
MW352.48 g/mol
LogP3.85
Rot. Bonds5

About N-[1-[(3-methoxy-5-phenylphenyl)methyl]-4-methylpiperidin-4-yl]acetamide

N-[1-[(3-methoxy-5-phenylphenyl)methyl]-4-methylpiperidin-4-yl]acetamide (PubChem CID 134807420) has the molecular formula C22H28N2O2 and a molecular weight of 352.48 g/mol. Its IUPAC name is N-[1-[(3-methoxy-5-phenylphenyl)methyl]-4-methylpiperidin-4-yl]acetamide.

Molecular Properties

Compound NameN-[1-[(3-methoxy-5-phenylphenyl)methyl]-4-methylpiperidin-4-yl]acetamide
PubChem CID134807420
Molecular FormulaC22H28N2O2
Molecular Weight352.48 g/mol
Exact Mass352.22
IUPAC NameN-[1-[(3-methoxy-5-phenylphenyl)methyl]-4-methylpiperidin-4-yl]acetamide
SMILESCOc1cc(CN2CCC(C)(NC(C)=O)CC2)cc(-c2ccccc2)c1
InChIInChI=1S/C22H28N2O2/c1-17(25)23-22(2)9-11-24(12-10-22)16-18-13-20(15-21(14-18)26-3)19-7-5-4-6-8-19/h4-8,13-15H,9-12,16H2,1-3H3,(H,23,25)
InChIKeyYXQIMQMAZATUQQ-UHFFFAOYSA-N
XLogP3.85
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-methyl-1-[(2-phenyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]acetamide
CID 134809052
N-[1-[(4-bromophenyl)methyl]-4-methylpiperidin-4-yl]acetamide
CID 69106865
N-[(4R,5S)-5-hydroxy-4-methyl-9-[(4-phenylphenyl)methyl]-1-oxa-9-azaspiro[5.5]undecan-4-yl]acetamide
CID 137343409
4-anilino-1-[(3-methoxyphenyl)methyl]-N,N-dimethylpiperidine-4-carboxamide
CID 155873379
1,3-dibenzyl-N-[(3,5-dimethoxyphenyl)methyl]pyrrolidine-3-carboxamide
CID 71726690
1-benzyl-4-(3-methoxyphenyl)-N-oxopiperidine-4-carboxamide
CID 57241703
1-[(3,5-dimethoxyphenyl)methyl]azetidine-3,3-dicarboxylic acid
CID 56839103
1-benzyl-1-[1-[(3,5-dimethoxyphenyl)methyl]-4-formylpiperidin-4-yl]-3-[(3-methoxyphenyl)methyl]urea
CID 89103139
1-benzyl-4-methylpiperidin-4-ol
CID 10845913
N-[1-benzyl-4-(3-pyrrol-1-ylphenyl)piperidin-4-yl]acetamide
CID 143477247
8-[[3,5-di(propan-2-yloxy)phenyl]methyl]-2-phenyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one
CID 25118089
methyl 4-amino-1-benzylpiperidine-4-carboxylate
CID 3044632

Frequently Asked Questions

What is the IUPAC name of N-[1-[(3-methoxy-5-phenylphenyl)methyl]-4-methylpiperidin-4-yl]acetamide?
The IUPAC name of N-[1-[(3-methoxy-5-phenylphenyl)methyl]-4-methylpiperidin-4-yl]acetamide (CID 134807420) is N-[1-[(3-methoxy-5-phenylphenyl)methyl]-4-methylpiperidin-4-yl]acetamide.
What is the SMILES notation for N-[1-[(3-methoxy-5-phenylphenyl)methyl]-4-methylpiperidin-4-yl]acetamide?
The canonical SMILES for N-[1-[(3-methoxy-5-phenylphenyl)methyl]-4-methylpiperidin-4-yl]acetamide is COc1cc(CN2CCC(C)(NC(C)=O)CC2)cc(-c2ccccc2)c1.
What is the InChIKey of N-[1-[(3-methoxy-5-phenylphenyl)methyl]-4-methylpiperidin-4-yl]acetamide?
The InChIKey is YXQIMQMAZATUQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O2/c1-17(25)23-22(2)9-11-24(12-10-22)16-18-13-20(15-21(14-18)26-3)19-7-5-4-6-8-19/h4-8,13-15H,9-12,16H2,1-3H3,(H,23,25).
What are the key properties of N-[1-[(3-methoxy-5-phenylphenyl)methyl]-4-methylpiperidin-4-yl]acetamide?
N-[1-[(3-methoxy-5-phenylphenyl)methyl]-4-methylpiperidin-4-yl]acetamide has a molecular weight of 352.48 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3-methoxy-5-phenylphenyl)methyl]-4-methylpiperidin-4-yl]acetamide is sourced from PubChem (CID 134807420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).