2-(4-aminopiperidin-1-yl)-N-[(2,3-dimethoxyphenyl)methyl]-N-methylacetamide

C17H27N3O3 — CID 119907420

IUPAC2-(4-aminopiperidin-1-yl)-N-[(2,3-dimethoxyphenyl)methyl]-N-methylacetamide
SMILESCOc1cccc(CN(C)C(=O)CN2CCC(N)CC2)c1OC
InChIInChI=1S/C17H27N3O3/c1-19(16(21)12-20-9-7-14(18)8-10-20)11-13-5-4-6-15(22-2)17(13)23-3/h4-6,14H,7-12,18H2,1-3H3
InChIKeyDFUOJCNRBXDIJF-UHFFFAOYSA-N
MW321.42 g/mol
LogP1.09
Rot. Bonds6

About 2-(4-aminopiperidin-1-yl)-N-[(2,3-dimethoxyphenyl)methyl]-N-methylacetamide

2-(4-aminopiperidin-1-yl)-N-[(2,3-dimethoxyphenyl)methyl]-N-methylacetamide (PubChem CID 119907420) has the molecular formula C17H27N3O3 and a molecular weight of 321.42 g/mol. Its IUPAC name is 2-(4-aminopiperidin-1-yl)-N-[(2,3-dimethoxyphenyl)methyl]-N-methylacetamide.

Molecular Properties

Compound Name2-(4-aminopiperidin-1-yl)-N-[(2,3-dimethoxyphenyl)methyl]-N-methylacetamide
PubChem CID119907420
Molecular FormulaC17H27N3O3
Molecular Weight321.42 g/mol
Exact Mass321.21
IUPAC Name2-(4-aminopiperidin-1-yl)-N-[(2,3-dimethoxyphenyl)methyl]-N-methylacetamide
SMILESCOc1cccc(CN(C)C(=O)CN2CCC(N)CC2)c1OC
InChIInChI=1S/C17H27N3O3/c1-19(16(21)12-20-9-7-14(18)8-10-20)11-13-5-4-6-15(22-2)17(13)23-3/h4-6,14H,7-12,18H2,1-3H3
InChIKeyDFUOJCNRBXDIJF-UHFFFAOYSA-N
XLogP1.09
TPSA68.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2,3-dimethoxyphenyl)methyl]-N-methyl-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]acetamide
CID 24534606
2-[3-(dimethylamino)pyrrolidin-1-yl]-N-[(2-ethoxy-3-methoxyphenyl)methyl]-N-methylacetamide
CID 91841851
2-(4-aminopiperidin-1-yl)-N-methyl-N-[(2-methylphenyl)methyl]acetamide
CID 43556426
2-(4-aminopiperidin-1-yl)-N-[(3,4-dimethoxyphenyl)methyl]-N-methylacetamide
CID 119907892
2-[(3aR,7aS)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-N-[(2,3-dimethoxyphenyl)methyl]-N-methylacetamide
CID 27835771
4-amino-N-[(2,3-dimethoxyphenyl)methyl]-N-methylbutanamide
CID 54868981
N-[(2,3-dimethoxyphenyl)methyl]-2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-methylacetamide
CID 18121406
2-[(4S)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(2,3-dimethoxyphenyl)methyl]-N-methylacetamide
CID 51857399
2-(3-aminopyrrolidin-1-yl)-N-[(2-fluorophenyl)methyl]-N-methylacetamide;hydrochloride
CID 119917364
6-amino-N-[(2,3-dimethoxyphenyl)methyl]-N-methylhexanamide
CID 60936664
5-chloro-N-[(2,3-dimethoxyphenyl)methyl]-N-methylpentanamide
CID 43470726
2-(1,4-diazepan-1-yl)-N-[(2-methoxyphenyl)methyl]-N-methylacetamide;hydrochloride
CID 119906324

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminopiperidin-1-yl)-N-[(2,3-dimethoxyphenyl)methyl]-N-methylacetamide?
The IUPAC name of 2-(4-aminopiperidin-1-yl)-N-[(2,3-dimethoxyphenyl)methyl]-N-methylacetamide (CID 119907420) is 2-(4-aminopiperidin-1-yl)-N-[(2,3-dimethoxyphenyl)methyl]-N-methylacetamide.
What is the SMILES notation for 2-(4-aminopiperidin-1-yl)-N-[(2,3-dimethoxyphenyl)methyl]-N-methylacetamide?
The canonical SMILES for 2-(4-aminopiperidin-1-yl)-N-[(2,3-dimethoxyphenyl)methyl]-N-methylacetamide is COc1cccc(CN(C)C(=O)CN2CCC(N)CC2)c1OC.
What is the InChIKey of 2-(4-aminopiperidin-1-yl)-N-[(2,3-dimethoxyphenyl)methyl]-N-methylacetamide?
The InChIKey is DFUOJCNRBXDIJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O3/c1-19(16(21)12-20-9-7-14(18)8-10-20)11-13-5-4-6-15(22-2)17(13)23-3/h4-6,14H,7-12,18H2,1-3H3.
What are the key properties of 2-(4-aminopiperidin-1-yl)-N-[(2,3-dimethoxyphenyl)methyl]-N-methylacetamide?
2-(4-aminopiperidin-1-yl)-N-[(2,3-dimethoxyphenyl)methyl]-N-methylacetamide has a molecular weight of 321.42 g/mol, XLogP of 1.09, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminopiperidin-1-yl)-N-[(2,3-dimethoxyphenyl)methyl]-N-methylacetamide is sourced from PubChem (CID 119907420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).