2-(3,4-dimethoxyphenyl)-N-[(1-propan-2-ylpiperidin-3-yl)methyl]acetamide

C19H30N2O3 — CID 51098673

IUPAC2-(3,4-dimethoxyphenyl)-N-[(1-propan-2-ylpiperidin-3-yl)methyl]acetamide
SMILESCOc1ccc(CC(=O)NCC2CCCN(C(C)C)C2)cc1OC
InChIInChI=1S/C19H30N2O3/c1-14(2)21-9-5-6-16(13-21)12-20-19(22)11-15-7-8-17(23-3)18(10-15)24-4/h7-8,10,14,16H,5-6,9,11-13H2,1-4H3,(H,20,22)
InChIKeyFLEURULMZUYNDZ-UHFFFAOYSA-N
MW334.46 g/mol
LogP2.48
Rot. Bonds7

About 2-(3,4-dimethoxyphenyl)-N-[(1-propan-2-ylpiperidin-3-yl)methyl]acetamide

2-(3,4-dimethoxyphenyl)-N-[(1-propan-2-ylpiperidin-3-yl)methyl]acetamide (PubChem CID 51098673) has the molecular formula C19H30N2O3 and a molecular weight of 334.46 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-N-[(1-propan-2-ylpiperidin-3-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-N-[(1-propan-2-ylpiperidin-3-yl)methyl]acetamide
PubChem CID51098673
Molecular FormulaC19H30N2O3
Molecular Weight334.46 g/mol
Exact Mass334.23
IUPAC Name2-(3,4-dimethoxyphenyl)-N-[(1-propan-2-ylpiperidin-3-yl)methyl]acetamide
SMILESCOc1ccc(CC(=O)NCC2CCCN(C(C)C)C2)cc1OC
InChIInChI=1S/C19H30N2O3/c1-14(2)21-9-5-6-16(13-21)12-20-19(22)11-15-7-8-17(23-3)18(10-15)24-4/h7-8,10,14,16H,5-6,9,11-13H2,1-4H3,(H,20,22)
InChIKeyFLEURULMZUYNDZ-UHFFFAOYSA-N
XLogP2.48
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-methoxyphenyl)-3-[[(3R)-1-propan-2-ylpiperidin-3-yl]methyl]urea
CID 94800132
2-(3,4-dimethoxyphenyl)-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]acetamide
CID 16896261
2-(3,5-dimethylpyrazol-1-yl)-N-[[(3R)-1-propan-2-ylpiperidin-3-yl]methyl]acetamide
CID 95220651
3-amino-N-[(1-propan-2-ylpiperidin-3-yl)methyl]propanamide
CID 119866720
2-(3,4-dimethoxyphenyl)-N-(2-phenyl-2-pyrrolidin-1-ylethyl)acetamide
CID 51179547
2-(3,4-dimethoxyphenyl)-N-[[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]methyl]acetamide
CID 16919044
3-amino-N-[(1-propan-2-ylpiperidin-3-yl)methyl]propanamide;dihydrochloride
CID 119866719
2-[(2R,5S)-5-[[[2-(3,4-dimethoxyphenyl)acetyl]amino]methyl]-1-methylpyrrolidin-2-yl]-N-methylacetamide
CID 165420701
N-[[(3R)-1-ethylpiperidin-3-yl]methyl]-3,4-dimethoxybenzamide
CID 95214625
4-(methoxymethyl)-N-[(1-propan-2-ylpiperidin-3-yl)methyl]piperidine-4-carboxamide
CID 120645530
2-(3,4-dimethoxyphenyl)-N-(3-hydroxy-2-methylpropyl)acetamide
CID 65036986
N-[(4-methoxy-3-methylphenyl)methyl]-1-(1-propan-2-ylpyrrolidin-3-yl)methanamine
CID 61206805

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-N-[(1-propan-2-ylpiperidin-3-yl)methyl]acetamide?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-N-[(1-propan-2-ylpiperidin-3-yl)methyl]acetamide (CID 51098673) is 2-(3,4-dimethoxyphenyl)-N-[(1-propan-2-ylpiperidin-3-yl)methyl]acetamide.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-N-[(1-propan-2-ylpiperidin-3-yl)methyl]acetamide?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-N-[(1-propan-2-ylpiperidin-3-yl)methyl]acetamide is COc1ccc(CC(=O)NCC2CCCN(C(C)C)C2)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-N-[(1-propan-2-ylpiperidin-3-yl)methyl]acetamide?
The InChIKey is FLEURULMZUYNDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O3/c1-14(2)21-9-5-6-16(13-21)12-20-19(22)11-15-7-8-17(23-3)18(10-15)24-4/h7-8,10,14,16H,5-6,9,11-13H2,1-4H3,(H,20,22).
What are the key properties of 2-(3,4-dimethoxyphenyl)-N-[(1-propan-2-ylpiperidin-3-yl)methyl]acetamide?
2-(3,4-dimethoxyphenyl)-N-[(1-propan-2-ylpiperidin-3-yl)methyl]acetamide has a molecular weight of 334.46 g/mol, XLogP of 2.48, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-N-[(1-propan-2-ylpiperidin-3-yl)methyl]acetamide is sourced from PubChem (CID 51098673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).