2-(3,4-dimethoxyphenyl)-N-[5-(4-methylpiperidin-1-yl)-2-pyridinyl]acetamide

C21H27N3O3 — CID 113024851

IUPAC2-(3,4-dimethoxyphenyl)-N-[5-(4-methylpiperidin-1-yl)-2-pyridinyl]acetamide
SMILESCOc1ccc(CC(=O)Nc2ccc(N3CCC(C)CC3)cn2)cc1OC
InChIInChI=1S/C21H27N3O3/c1-15-8-10-24(11-9-15)17-5-7-20(22-14-17)23-21(25)13-16-4-6-18(26-2)19(12-16)27-3/h4-7,12,14-15H,8-11,13H2,1-3H3,(H,22,23,25)
InChIKeyTWHFUKYKIDVKIS-UHFFFAOYSA-N
MW369.47 g/mol
LogP3.52
Rot. Bonds6

About 2-(3,4-dimethoxyphenyl)-N-[5-(4-methylpiperidin-1-yl)-2-pyridinyl]acetamide

2-(3,4-dimethoxyphenyl)-N-[5-(4-methylpiperidin-1-yl)-2-pyridinyl]acetamide (PubChem CID 113024851) has the molecular formula C21H27N3O3 and a molecular weight of 369.47 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-N-[5-(4-methylpiperidin-1-yl)-2-pyridinyl]acetamide.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-N-[5-(4-methylpiperidin-1-yl)-2-pyridinyl]acetamide
PubChem CID113024851
Molecular FormulaC21H27N3O3
Molecular Weight369.47 g/mol
Exact Mass369.21
IUPAC Name2-(3,4-dimethoxyphenyl)-N-[5-(4-methylpiperidin-1-yl)-2-pyridinyl]acetamide
SMILESCOc1ccc(CC(=O)Nc2ccc(N3CCC(C)CC3)cn2)cc1OC
InChIInChI=1S/C21H27N3O3/c1-15-8-10-24(11-9-15)17-5-7-20(22-14-17)23-21(25)13-16-4-6-18(26-2)19(12-16)27-3/h4-7,12,14-15H,8-11,13H2,1-3H3,(H,22,23,25)
InChIKeyTWHFUKYKIDVKIS-UHFFFAOYSA-N
XLogP3.52
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-bromophenyl)-N-[5-(4-methylpiperidin-1-yl)-2-pyridinyl]acetamide
CID 113024871
3-(3,4-dimethoxyphenyl)-N-(5-pyrrolidin-1-yl-2-pyridinyl)propanamide
CID 32946707
2-amino-N-[5-(4-methylpiperidin-1-yl)-2-pyridinyl]acetamide
CID 39180437
3-(3,4-dimethoxyphenyl)-N-[5-(4-formylpiperazin-1-yl)-2-pyridinyl]propanamide
CID 113026085
4-[[5-(4-methylpiperidin-1-yl)-2-pyridinyl]amino]-4-oxobutanoic acid
CID 39187652
4-amino-N-[5-(4-methylpiperidin-1-yl)-2-pyridinyl]butanamide
CID 82034911
[6-[(3,4-dimethoxyphenyl)methylamino]-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 109152614
N-[4-(4-acetylpiperazin-1-yl)phenyl]-2-(3,4-dimethoxyphenyl)acetamide
CID 110369690
N-[5-(4-methylpiperidin-1-yl)-2-pyridinyl]oxane-4-carboxamide
CID 113024875
N-[5-(butylamino)-2-pyridinyl]-2-(3,4-dimethoxyphenyl)acetamide
CID 113024001
3,4-dichloro-N-[5-(4-methylpiperidin-1-yl)-2-pyridinyl]benzamide
CID 113024830
2-(3,4-dimethoxyphenyl)-N-[5-(3-methoxypropylamino)-2-pyridinyl]acetamide
CID 113025196

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-N-[5-(4-methylpiperidin-1-yl)-2-pyridinyl]acetamide?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-N-[5-(4-methylpiperidin-1-yl)-2-pyridinyl]acetamide (CID 113024851) is 2-(3,4-dimethoxyphenyl)-N-[5-(4-methylpiperidin-1-yl)-2-pyridinyl]acetamide.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-N-[5-(4-methylpiperidin-1-yl)-2-pyridinyl]acetamide?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-N-[5-(4-methylpiperidin-1-yl)-2-pyridinyl]acetamide is COc1ccc(CC(=O)Nc2ccc(N3CCC(C)CC3)cn2)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-N-[5-(4-methylpiperidin-1-yl)-2-pyridinyl]acetamide?
The InChIKey is TWHFUKYKIDVKIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O3/c1-15-8-10-24(11-9-15)17-5-7-20(22-14-17)23-21(25)13-16-4-6-18(26-2)19(12-16)27-3/h4-7,12,14-15H,8-11,13H2,1-3H3,(H,22,23,25).
What are the key properties of 2-(3,4-dimethoxyphenyl)-N-[5-(4-methylpiperidin-1-yl)-2-pyridinyl]acetamide?
2-(3,4-dimethoxyphenyl)-N-[5-(4-methylpiperidin-1-yl)-2-pyridinyl]acetamide has a molecular weight of 369.47 g/mol, XLogP of 3.52, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-N-[5-(4-methylpiperidin-1-yl)-2-pyridinyl]acetamide is sourced from PubChem (CID 113024851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).