2-[2-(1-aminoethyl)piperidin-1-yl]-N-(3,4-dimethylphenyl)acetamide

C17H27N3O — CID 63255589

IUPAC2-[2-(1-aminoethyl)piperidin-1-yl]-N-(3,4-dimethylphenyl)acetamide
SMILESCc1ccc(NC(=O)CN2CCCCC2C(C)N)cc1C
InChIInChI=1S/C17H27N3O/c1-12-7-8-15(10-13(12)2)19-17(21)11-20-9-5-4-6-16(20)14(3)18/h7-8,10,14,16H,4-6,9,11,18H2,1-3H3,(H,19,21)
InChIKeyAPQBQPVSAZOLGC-UHFFFAOYSA-N
MW289.42 g/mol
LogP2.44
Rot. Bonds4

About 2-[2-(1-aminoethyl)piperidin-1-yl]-N-(3,4-dimethylphenyl)acetamide

2-[2-(1-aminoethyl)piperidin-1-yl]-N-(3,4-dimethylphenyl)acetamide (PubChem CID 63255589) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is 2-[2-(1-aminoethyl)piperidin-1-yl]-N-(3,4-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[2-(1-aminoethyl)piperidin-1-yl]-N-(3,4-dimethylphenyl)acetamide
PubChem CID63255589
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name2-[2-(1-aminoethyl)piperidin-1-yl]-N-(3,4-dimethylphenyl)acetamide
SMILESCc1ccc(NC(=O)CN2CCCCC2C(C)N)cc1C
InChIInChI=1S/C17H27N3O/c1-12-7-8-15(10-13(12)2)19-17(21)11-20-9-5-4-6-16(20)14(3)18/h7-8,10,14,16H,4-6,9,11,18H2,1-3H3,(H,19,21)
InChIKeyAPQBQPVSAZOLGC-UHFFFAOYSA-N
XLogP2.44
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[2-(1-aminoethyl)piperidin-1-yl]-N-(3,4-dimethylphenyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-(1-aminoethyl)piperidin-1-yl]-N-(3,4-dimethylphenyl)acetamide;hydrochloride
CID 119911982
2-[2-(1-aminoethyl)piperidin-1-yl]-N-(3-chloro-4-methylphenyl)acetamide
CID 63255628
(2S)-1-[2-(3,4-dimethylanilino)-2-oxoethyl]piperidine-2-carboxamide
CID 41096237
2-[2-(1-aminoethyl)piperidin-1-yl]-N-(1,3-benzodioxol-5-yl)acetamide;hydrochloride
CID 119911565
2-[2-(1-aminoethyl)piperidin-1-yl]-N-(2,4-dimethylphenyl)acetamide
CID 63255724
2-[2-(1-aminoethyl)piperidin-1-yl]-N-(2-bromo-4-methylphenyl)acetamide
CID 63255859
(2S)-1-[2-(3-methyl-4-pyrrolidin-1-ylanilino)-2-oxoethyl]piperidine-2-carboxamide
CID 40792929
2-[2-(1-aminoethyl)piperidin-1-yl]-N-pyrimidin-2-ylacetamide
CID 63254876
2-[2-(1-aminoethyl)piperidin-1-yl]-N-(2-iodophenyl)acetamide
CID 63255722
2-(azepan-1-yl)-N-(3,4-dimethylphenyl)acetamide
CID 8895959
N-(2,5-dimethylphenyl)-2-[2-(1-hydroxyethyl)piperidin-1-yl]acetamide
CID 111107012
N-(3-bromo-4-methylphenyl)-2-[(2R)-2-methylpiperidin-1-yl]acetamide
CID 8583157

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-aminoethyl)piperidin-1-yl]-N-(3,4-dimethylphenyl)acetamide?
The IUPAC name of 2-[2-(1-aminoethyl)piperidin-1-yl]-N-(3,4-dimethylphenyl)acetamide (CID 63255589) is 2-[2-(1-aminoethyl)piperidin-1-yl]-N-(3,4-dimethylphenyl)acetamide.
What is the SMILES notation for 2-[2-(1-aminoethyl)piperidin-1-yl]-N-(3,4-dimethylphenyl)acetamide?
The canonical SMILES for 2-[2-(1-aminoethyl)piperidin-1-yl]-N-(3,4-dimethylphenyl)acetamide is Cc1ccc(NC(=O)CN2CCCCC2C(C)N)cc1C.
What is the InChIKey of 2-[2-(1-aminoethyl)piperidin-1-yl]-N-(3,4-dimethylphenyl)acetamide?
The InChIKey is APQBQPVSAZOLGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-12-7-8-15(10-13(12)2)19-17(21)11-20-9-5-4-6-16(20)14(3)18/h7-8,10,14,16H,4-6,9,11,18H2,1-3H3,(H,19,21).
What are the key properties of 2-[2-(1-aminoethyl)piperidin-1-yl]-N-(3,4-dimethylphenyl)acetamide?
2-[2-(1-aminoethyl)piperidin-1-yl]-N-(3,4-dimethylphenyl)acetamide has a molecular weight of 289.42 g/mol, XLogP of 2.44, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-aminoethyl)piperidin-1-yl]-N-(3,4-dimethylphenyl)acetamide is sourced from PubChem (CID 63255589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).