N-methyl-2-[3-(phenoxymethyl)piperidin-1-yl]-N-phenylacetamide

C21H26N2O2 — CID 86972191

IUPACN-methyl-2-[3-(phenoxymethyl)piperidin-1-yl]-N-phenylacetamide
SMILESCN(C(=O)CN1CCCC(COc2ccccc2)C1)c1ccccc1
InChIInChI=1S/C21H26N2O2/c1-22(19-10-4-2-5-11-19)21(24)16-23-14-8-9-18(15-23)17-25-20-12-6-3-7-13-20/h2-7,10-13,18H,8-9,14-17H2,1H3
InChIKeyHELPRSUWZYNXRW-UHFFFAOYSA-N
MW338.45 g/mol
LogP3.44
Rot. Bonds6

About N-methyl-2-[3-(phenoxymethyl)piperidin-1-yl]-N-phenylacetamide

N-methyl-2-[3-(phenoxymethyl)piperidin-1-yl]-N-phenylacetamide (PubChem CID 86972191) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is N-methyl-2-[3-(phenoxymethyl)piperidin-1-yl]-N-phenylacetamide.

Molecular Properties

Compound NameN-methyl-2-[3-(phenoxymethyl)piperidin-1-yl]-N-phenylacetamide
PubChem CID86972191
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC NameN-methyl-2-[3-(phenoxymethyl)piperidin-1-yl]-N-phenylacetamide
SMILESCN(C(=O)CN1CCCC(COc2ccccc2)C1)c1ccccc1
InChIInChI=1S/C21H26N2O2/c1-22(19-10-4-2-5-11-19)21(24)16-23-14-8-9-18(15-23)17-25-20-12-6-3-7-13-20/h2-7,10-13,18H,8-9,14-17H2,1H3
InChIKeyHELPRSUWZYNXRW-UHFFFAOYSA-N
XLogP3.44
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-methoxyphenyl)methyl]-N-methyl-2-[3-(phenoxymethyl)piperidin-1-yl]acetamide
CID 86972335
N-[[4-(dimethylamino)phenyl]methyl]-2-[3-(phenoxymethyl)piperidin-1-yl]acetamide
CID 86972269
1-(2,6-dimethylpiperidin-1-yl)-2-[3-(phenoxymethyl)piperidin-1-yl]ethanone
CID 86972245
N-(4-aminophenyl)-2-[3-(methoxymethyl)piperidin-1-yl]-N-methylacetamide
CID 106585961
2-(3-formylpiperidin-1-yl)-N-methyl-N-phenylacetamide
CID 55099876
N-(3-methylphenyl)-2-[3-(phenoxymethyl)piperidin-1-yl]acetamide
CID 86972186
N-(4-fluorophenyl)-2-[3-(phenoxymethyl)piperidin-1-yl]acetamide
CID 86972270
2-[3-[(4-fluorophenoxy)methyl]piperidin-1-yl]acetic acid
CID 165429432
methyl 3-[[2-[3-(phenoxymethyl)piperidin-1-yl]acetyl]amino]benzoate
CID 86972356
N-(2,3-dimethylphenyl)-2-[3-(phenoxymethyl)piperidin-1-yl]acetamide
CID 86972219
N-(2,5-dimethylphenyl)-2-[3-(phenoxymethyl)piperidin-1-yl]acetamide
CID 86972182
N-(3,4-difluorophenyl)-2-[3-(phenoxymethyl)piperidin-1-yl]acetamide
CID 86972309

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[3-(phenoxymethyl)piperidin-1-yl]-N-phenylacetamide?
The IUPAC name of N-methyl-2-[3-(phenoxymethyl)piperidin-1-yl]-N-phenylacetamide (CID 86972191) is N-methyl-2-[3-(phenoxymethyl)piperidin-1-yl]-N-phenylacetamide.
What is the SMILES notation for N-methyl-2-[3-(phenoxymethyl)piperidin-1-yl]-N-phenylacetamide?
The canonical SMILES for N-methyl-2-[3-(phenoxymethyl)piperidin-1-yl]-N-phenylacetamide is CN(C(=O)CN1CCCC(COc2ccccc2)C1)c1ccccc1.
What is the InChIKey of N-methyl-2-[3-(phenoxymethyl)piperidin-1-yl]-N-phenylacetamide?
The InChIKey is HELPRSUWZYNXRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-22(19-10-4-2-5-11-19)21(24)16-23-14-8-9-18(15-23)17-25-20-12-6-3-7-13-20/h2-7,10-13,18H,8-9,14-17H2,1H3.
What are the key properties of N-methyl-2-[3-(phenoxymethyl)piperidin-1-yl]-N-phenylacetamide?
N-methyl-2-[3-(phenoxymethyl)piperidin-1-yl]-N-phenylacetamide has a molecular weight of 338.45 g/mol, XLogP of 3.44, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[3-(phenoxymethyl)piperidin-1-yl]-N-phenylacetamide is sourced from PubChem (CID 86972191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).