2-(2,4-dimethoxyphenyl)-N-[1-(pyridin-3-ylmethyl)piperidin-3-yl]acetamide

C21H27N3O3 — CID 91831148

IUPAC2-(2,4-dimethoxyphenyl)-N-[1-(pyridin-3-ylmethyl)piperidin-3-yl]acetamide
SMILESCOc1ccc(CC(=O)NC2CCCN(Cc3cccnc3)C2)c(OC)c1
InChIInChI=1S/C21H27N3O3/c1-26-19-8-7-17(20(12-19)27-2)11-21(25)23-18-6-4-10-24(15-18)14-16-5-3-9-22-13-16/h3,5,7-9,12-13,18H,4,6,10-11,14-15H2,1-2H3,(H,23,25)
InChIKeyYHAOUKRGKOHALN-UHFFFAOYSA-N
MW369.47 g/mol
LogP2.42
Rot. Bonds7

About 2-(2,4-dimethoxyphenyl)-N-[1-(pyridin-3-ylmethyl)piperidin-3-yl]acetamide

2-(2,4-dimethoxyphenyl)-N-[1-(pyridin-3-ylmethyl)piperidin-3-yl]acetamide (PubChem CID 91831148) has the molecular formula C21H27N3O3 and a molecular weight of 369.47 g/mol. Its IUPAC name is 2-(2,4-dimethoxyphenyl)-N-[1-(pyridin-3-ylmethyl)piperidin-3-yl]acetamide.

Molecular Properties

Compound Name2-(2,4-dimethoxyphenyl)-N-[1-(pyridin-3-ylmethyl)piperidin-3-yl]acetamide
PubChem CID91831148
Molecular FormulaC21H27N3O3
Molecular Weight369.47 g/mol
Exact Mass369.21
IUPAC Name2-(2,4-dimethoxyphenyl)-N-[1-(pyridin-3-ylmethyl)piperidin-3-yl]acetamide
SMILESCOc1ccc(CC(=O)NC2CCCN(Cc3cccnc3)C2)c(OC)c1
InChIInChI=1S/C21H27N3O3/c1-26-19-8-7-17(20(12-19)27-2)11-21(25)23-18-6-4-10-24(15-18)14-16-5-3-9-22-13-16/h3,5,7-9,12-13,18H,4,6,10-11,14-15H2,1-2H3,(H,23,25)
InChIKeyYHAOUKRGKOHALN-UHFFFAOYSA-N
XLogP2.42
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-benzylpiperidin-3-yl)-2-(2,4-dimethoxyphenyl)acetamide
CID 55644626
2-(4-methyl-1,2,5-oxadiazol-3-yl)-N-[(3R)-1-(pyridin-3-ylmethyl)piperidin-3-yl]acetamide
CID 125165036
2-(2,4-difluorophenoxy)-N-[1-(pyridin-3-ylmethyl)piperidin-3-yl]acetamide
CID 118778594
N-cyclopentyl-2-(2,4-dimethoxyphenyl)acetamide
CID 17474203
2-(2-methylphenyl)sulfanyl-N-[(3S)-1-(pyridin-3-ylmethyl)piperidin-3-yl]acetamide
CID 124749391
2-(5-amino-3-methylpyrazol-1-yl)-N-[(3R)-1-(pyridin-3-ylmethyl)piperidin-3-yl]acetamide
CID 124753575
3-methyl-N-[(3S)-1-(pyridin-3-ylmethyl)piperidin-3-yl]-1,2-oxazole-5-carboxamide
CID 125440680
1-[(2,4-dimethoxyphenyl)methyl]-N-methylpiperidin-3-amine;hydrochloride
CID 75493797
1,5-dimethyl-N-[1-(pyridin-3-ylmethyl)piperidin-3-yl]pyrazole-3-carboxamide
CID 172900155
N-[(3R)-1-(pyridin-3-ylmethyl)piperidin-3-yl]-2-(2,2,3,3-tetrafluoropropoxy)acetamide
CID 125155616
3-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-[(3S)-1-(pyridin-3-ylmethyl)piperidin-3-yl]propanamide
CID 125173839
3-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-[1-(pyridin-3-ylmethyl)piperidin-3-yl]propanamide
CID 118794907

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethoxyphenyl)-N-[1-(pyridin-3-ylmethyl)piperidin-3-yl]acetamide?
The IUPAC name of 2-(2,4-dimethoxyphenyl)-N-[1-(pyridin-3-ylmethyl)piperidin-3-yl]acetamide (CID 91831148) is 2-(2,4-dimethoxyphenyl)-N-[1-(pyridin-3-ylmethyl)piperidin-3-yl]acetamide.
What is the SMILES notation for 2-(2,4-dimethoxyphenyl)-N-[1-(pyridin-3-ylmethyl)piperidin-3-yl]acetamide?
The canonical SMILES for 2-(2,4-dimethoxyphenyl)-N-[1-(pyridin-3-ylmethyl)piperidin-3-yl]acetamide is COc1ccc(CC(=O)NC2CCCN(Cc3cccnc3)C2)c(OC)c1.
What is the InChIKey of 2-(2,4-dimethoxyphenyl)-N-[1-(pyridin-3-ylmethyl)piperidin-3-yl]acetamide?
The InChIKey is YHAOUKRGKOHALN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O3/c1-26-19-8-7-17(20(12-19)27-2)11-21(25)23-18-6-4-10-24(15-18)14-16-5-3-9-22-13-16/h3,5,7-9,12-13,18H,4,6,10-11,14-15H2,1-2H3,(H,23,25).
What are the key properties of 2-(2,4-dimethoxyphenyl)-N-[1-(pyridin-3-ylmethyl)piperidin-3-yl]acetamide?
2-(2,4-dimethoxyphenyl)-N-[1-(pyridin-3-ylmethyl)piperidin-3-yl]acetamide has a molecular weight of 369.47 g/mol, XLogP of 2.42, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethoxyphenyl)-N-[1-(pyridin-3-ylmethyl)piperidin-3-yl]acetamide is sourced from PubChem (CID 91831148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).