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

C23H30N2O3 — CID 86972335

IUPACN-[(3-methoxyphenyl)methyl]-N-methyl-2-[3-(phenoxymethyl)piperidin-1-yl]acetamide
SMILESCOc1cccc(CN(C)C(=O)CN2CCCC(COc3ccccc3)C2)c1
InChIInChI=1S/C23H30N2O3/c1-24(15-19-8-6-12-22(14-19)27-2)23(26)17-25-13-7-9-20(16-25)18-28-21-10-4-3-5-11-21/h3-6,8,10-12,14,20H,7,9,13,15-18H2,1-2H3
InChIKeyCJANPXKKLBEPIM-UHFFFAOYSA-N
MW382.50 g/mol
LogP3.44
Rot. Bonds8

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

N-[(3-methoxyphenyl)methyl]-N-methyl-2-[3-(phenoxymethyl)piperidin-1-yl]acetamide (PubChem CID 86972335) has the molecular formula C23H30N2O3 and a molecular weight of 382.50 g/mol. Its IUPAC name is N-[(3-methoxyphenyl)methyl]-N-methyl-2-[3-(phenoxymethyl)piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-[(3-methoxyphenyl)methyl]-N-methyl-2-[3-(phenoxymethyl)piperidin-1-yl]acetamide
PubChem CID86972335
Molecular FormulaC23H30N2O3
Molecular Weight382.50 g/mol
Exact Mass382.23
IUPAC NameN-[(3-methoxyphenyl)methyl]-N-methyl-2-[3-(phenoxymethyl)piperidin-1-yl]acetamide
SMILESCOc1cccc(CN(C)C(=O)CN2CCCC(COc3ccccc3)C2)c1
InChIInChI=1S/C23H30N2O3/c1-24(15-19-8-6-12-22(14-19)27-2)23(26)17-25-13-7-9-20(16-25)18-28-21-10-4-3-5-11-21/h3-6,8,10-12,14,20H,7,9,13,15-18H2,1-2H3
InChIKeyCJANPXKKLBEPIM-UHFFFAOYSA-N
XLogP3.44
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.50
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4R)-1-[2-[(3-methoxyphenyl)methyl-methylamino]-2-oxoethyl]azepan-4-yl]acetic acid
CID 129489300
1-[2-[(3-methoxyphenyl)methyl-methylamino]-2-oxoethyl]pyrrolidine-3-carboxylic acid
CID 119904141
N-methyl-2-[3-(phenoxymethyl)piperidin-1-yl]-N-phenylacetamide
CID 86972191
N-[(3-methoxyphenyl)methyl]-N-methyl-2-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]acetamide
CID 134058368
N-[(3-methoxyphenyl)methyl]-N-methyl-2-[4-(propan-2-ylamino)piperidin-1-yl]acetamide
CID 56569893
N-[(6-methoxynaphthalen-2-yl)methyl]-N-methyl-2-[3-(methylamino)piperidin-1-yl]acetamide
CID 119920048
1-(2,6-dimethylpiperidin-1-yl)-2-[3-(phenoxymethyl)piperidin-1-yl]ethanone
CID 86972245
N-benzyl-N-methyl-2-(3-methylpiperidin-1-yl)acetamide
CID 108997429
tert-butyl N-[[1-[2-[(3-methoxyphenyl)methyl-methylamino]-2-oxoethyl]piperidin-4-yl]methyl]carbamate
CID 56571118
2-[3-(acetamidomethyl)piperidin-1-yl]-N-[(4-methoxyphenyl)methyl]-N-methylacetamide
CID 60598165
N-(3-methylphenyl)-2-[3-(phenoxymethyl)piperidin-1-yl]acetamide
CID 86972186
N-[[4-(dimethylamino)phenyl]methyl]-2-[3-(phenoxymethyl)piperidin-1-yl]acetamide
CID 86972269

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxyphenyl)methyl]-N-methyl-2-[3-(phenoxymethyl)piperidin-1-yl]acetamide?
The IUPAC name of N-[(3-methoxyphenyl)methyl]-N-methyl-2-[3-(phenoxymethyl)piperidin-1-yl]acetamide (CID 86972335) is N-[(3-methoxyphenyl)methyl]-N-methyl-2-[3-(phenoxymethyl)piperidin-1-yl]acetamide.
What is the SMILES notation for N-[(3-methoxyphenyl)methyl]-N-methyl-2-[3-(phenoxymethyl)piperidin-1-yl]acetamide?
The canonical SMILES for N-[(3-methoxyphenyl)methyl]-N-methyl-2-[3-(phenoxymethyl)piperidin-1-yl]acetamide is COc1cccc(CN(C)C(=O)CN2CCCC(COc3ccccc3)C2)c1.
What is the InChIKey of N-[(3-methoxyphenyl)methyl]-N-methyl-2-[3-(phenoxymethyl)piperidin-1-yl]acetamide?
The InChIKey is CJANPXKKLBEPIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O3/c1-24(15-19-8-6-12-22(14-19)27-2)23(26)17-25-13-7-9-20(16-25)18-28-21-10-4-3-5-11-21/h3-6,8,10-12,14,20H,7,9,13,15-18H2,1-2H3.
What are the key properties of N-[(3-methoxyphenyl)methyl]-N-methyl-2-[3-(phenoxymethyl)piperidin-1-yl]acetamide?
N-[(3-methoxyphenyl)methyl]-N-methyl-2-[3-(phenoxymethyl)piperidin-1-yl]acetamide has a molecular weight of 382.50 g/mol, XLogP of 3.44, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxyphenyl)methyl]-N-methyl-2-[3-(phenoxymethyl)piperidin-1-yl]acetamide is sourced from PubChem (CID 86972335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).