2-(2,5-dimethoxyphenyl)-N-[3-(3,5-dimethylpiperidin-1-yl)propyl]acetamide

C20H32N2O3 — CID 78879562

IUPAC2-(2,5-dimethoxyphenyl)-N-[3-(3,5-dimethylpiperidin-1-yl)propyl]acetamide
SMILESCOc1ccc(OC)c(CC(=O)NCCCN2CC(C)CC(C)C2)c1
InChIInChI=1S/C20H32N2O3/c1-15-10-16(2)14-22(13-15)9-5-8-21-20(23)12-17-11-18(24-3)6-7-19(17)25-4/h6-7,11,15-16H,5,8-10,12-14H2,1-4H3,(H,21,23)
InChIKeyKBCZUHAYZRIEMV-UHFFFAOYSA-N
MW348.49 g/mol
LogP2.73
Rot. Bonds8

About 2-(2,5-dimethoxyphenyl)-N-[3-(3,5-dimethylpiperidin-1-yl)propyl]acetamide

2-(2,5-dimethoxyphenyl)-N-[3-(3,5-dimethylpiperidin-1-yl)propyl]acetamide (PubChem CID 78879562) has the molecular formula C20H32N2O3 and a molecular weight of 348.49 g/mol. Its IUPAC name is 2-(2,5-dimethoxyphenyl)-N-[3-(3,5-dimethylpiperidin-1-yl)propyl]acetamide.

Molecular Properties

Compound Name2-(2,5-dimethoxyphenyl)-N-[3-(3,5-dimethylpiperidin-1-yl)propyl]acetamide
PubChem CID78879562
Molecular FormulaC20H32N2O3
Molecular Weight348.49 g/mol
Exact Mass348.24
IUPAC Name2-(2,5-dimethoxyphenyl)-N-[3-(3,5-dimethylpiperidin-1-yl)propyl]acetamide
SMILESCOc1ccc(OC)c(CC(=O)NCCCN2CC(C)CC(C)C2)c1
InChIInChI=1S/C20H32N2O3/c1-15-10-16(2)14-22(13-15)9-5-8-21-20(23)12-17-11-18(24-3)6-7-19(17)25-4/h6-7,11,15-16H,5,8-10,12-14H2,1-4H3,(H,21,23)
InChIKeyKBCZUHAYZRIEMV-UHFFFAOYSA-N
XLogP2.73
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.49
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(1R)-2-[(2,5-dimethoxyphenyl)methyl]-N-[3-[(3R,5S)-3,5-dimethylpiperidin-1-yl]propyl]-3-oxo-1H-isoindole-1-carboxamide
CID 92656068
N-[4-[(3S,5R)-3,5-dimethylpiperidin-1-yl]butyl]-3-methoxybenzamide
CID 94123444
2-(2,5-dimethoxyphenyl)-N-(2-hydroxyethyl)acetamide
CID 78820291
(2S)-N-[3-[(3S,5R)-3,5-dimethylpiperidin-1-yl]propyl]-2-(3-methoxyphenoxy)butanamide
CID 28631887
2-(2,5-dimethoxyphenyl)-N-[3-(2-oxoazepan-1-yl)propyl]acetamide
CID 78822014
1-[(1R)-1-(2,4-dimethoxyphenyl)ethyl]-3-[4-[(3S,5R)-3,5-dimethylpiperidin-1-yl]butyl]urea
CID 98953347
1-[1-(2,4-dimethoxyphenyl)ethyl]-3-[4-(3,5-dimethylpiperidin-1-yl)butyl]urea
CID 47048402
2-(2,5-dimethoxyphenyl)-N-(2-piperazin-1-ylethyl)acetamide
CID 119446777
N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 55735049
N-[4-[(3S,5R)-3,5-dimethylpiperidin-1-yl]butyl]-3-(dimethylsulfamoyl)-4-methoxybenzamide
CID 51948819
2-(2,5-dimethoxyphenyl)-N-[4-(4-methylphenoxy)butyl]acetamide
CID 78882858
(3R)-N-[3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propyl]-7-methoxy-2-[(2-methoxyphenyl)methyl]-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 99762294

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethoxyphenyl)-N-[3-(3,5-dimethylpiperidin-1-yl)propyl]acetamide?
The IUPAC name of 2-(2,5-dimethoxyphenyl)-N-[3-(3,5-dimethylpiperidin-1-yl)propyl]acetamide (CID 78879562) is 2-(2,5-dimethoxyphenyl)-N-[3-(3,5-dimethylpiperidin-1-yl)propyl]acetamide.
What is the SMILES notation for 2-(2,5-dimethoxyphenyl)-N-[3-(3,5-dimethylpiperidin-1-yl)propyl]acetamide?
The canonical SMILES for 2-(2,5-dimethoxyphenyl)-N-[3-(3,5-dimethylpiperidin-1-yl)propyl]acetamide is COc1ccc(OC)c(CC(=O)NCCCN2CC(C)CC(C)C2)c1.
What is the InChIKey of 2-(2,5-dimethoxyphenyl)-N-[3-(3,5-dimethylpiperidin-1-yl)propyl]acetamide?
The InChIKey is KBCZUHAYZRIEMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2O3/c1-15-10-16(2)14-22(13-15)9-5-8-21-20(23)12-17-11-18(24-3)6-7-19(17)25-4/h6-7,11,15-16H,5,8-10,12-14H2,1-4H3,(H,21,23).
What are the key properties of 2-(2,5-dimethoxyphenyl)-N-[3-(3,5-dimethylpiperidin-1-yl)propyl]acetamide?
2-(2,5-dimethoxyphenyl)-N-[3-(3,5-dimethylpiperidin-1-yl)propyl]acetamide has a molecular weight of 348.49 g/mol, XLogP of 2.73, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethoxyphenyl)-N-[3-(3,5-dimethylpiperidin-1-yl)propyl]acetamide is sourced from PubChem (CID 78879562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).