N-(4-amino-2-methylphenyl)-2-(2,4-dimethylpiperidin-1-yl)acetamide

C16H25N3O — CID 62345348

IUPACN-(4-amino-2-methylphenyl)-2-(2,4-dimethylpiperidin-1-yl)acetamide
SMILESCc1cc(N)ccc1NC(=O)CN1CCC(C)CC1C
InChIInChI=1S/C16H25N3O/c1-11-6-7-19(13(3)8-11)10-16(20)18-15-5-4-14(17)9-12(15)2/h4-5,9,11,13H,6-8,10,17H2,1-3H3,(H,18,20)
InChIKeyAFATZAQQLVCQPE-UHFFFAOYSA-N
MW275.40 g/mol
LogP2.64
Rot. Bonds3

About N-(4-amino-2-methylphenyl)-2-(2,4-dimethylpiperidin-1-yl)acetamide

N-(4-amino-2-methylphenyl)-2-(2,4-dimethylpiperidin-1-yl)acetamide (PubChem CID 62345348) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is N-(4-amino-2-methylphenyl)-2-(2,4-dimethylpiperidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(4-amino-2-methylphenyl)-2-(2,4-dimethylpiperidin-1-yl)acetamide
PubChem CID62345348
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC NameN-(4-amino-2-methylphenyl)-2-(2,4-dimethylpiperidin-1-yl)acetamide
SMILESCc1cc(N)ccc1NC(=O)CN1CCC(C)CC1C
InChIInChI=1S/C16H25N3O/c1-11-6-7-19(13(3)8-11)10-16(20)18-15-5-4-14(17)9-12(15)2/h4-5,9,11,13H,6-8,10,17H2,1-3H3,(H,18,20)
InChIKeyAFATZAQQLVCQPE-UHFFFAOYSA-N
XLogP2.64
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(5-amino-2-methylphenyl)-2-(2,4-dimethylpiperidin-1-yl)acetamide
CID 62330463
N-(5-amino-2-chlorophenyl)-2-(2,4-dimethylpiperidin-1-yl)acetamide
CID 62331552
N-(3-amino-4-methylphenyl)-2-(2,4-dimethylpiperidin-1-yl)acetamide
CID 62331925
N-(4-amino-2-methylphenyl)-2-(2-ethylpyrrolidin-1-yl)acetamide
CID 54882930
2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-N-(4-amino-2-methylphenyl)acetamide
CID 65319594
2-[2-(aminomethyl)-4-methylpiperidin-1-yl]-N-(4-bromo-2-methylphenyl)acetamide
CID 103441963
N-(4-amino-2-methylphenyl)-2-(3,4-dimethylpyrrolidin-1-yl)acetamide
CID 79181994
N-(4-amino-2-methylphenyl)-2-(2-ethylazepan-1-yl)acetamide
CID 104689012
N-(4-amino-2-methylphenyl)-2-(4-hydroxy-3-methylpiperidin-1-yl)acetamide
CID 114677873
N-(5-amino-2-fluorophenyl)-3-(2,4-dimethylpiperidin-1-yl)propanamide
CID 62329763
N-(4-amino-2-methylphenyl)-2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]acetamide
CID 62467867
N-(4-amino-2-chlorophenyl)-2-(2-methylpyrrolidin-1-yl)acetamide
CID 54882152

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-methylphenyl)-2-(2,4-dimethylpiperidin-1-yl)acetamide?
The IUPAC name of N-(4-amino-2-methylphenyl)-2-(2,4-dimethylpiperidin-1-yl)acetamide (CID 62345348) is N-(4-amino-2-methylphenyl)-2-(2,4-dimethylpiperidin-1-yl)acetamide.
What is the SMILES notation for N-(4-amino-2-methylphenyl)-2-(2,4-dimethylpiperidin-1-yl)acetamide?
The canonical SMILES for N-(4-amino-2-methylphenyl)-2-(2,4-dimethylpiperidin-1-yl)acetamide is Cc1cc(N)ccc1NC(=O)CN1CCC(C)CC1C.
What is the InChIKey of N-(4-amino-2-methylphenyl)-2-(2,4-dimethylpiperidin-1-yl)acetamide?
The InChIKey is AFATZAQQLVCQPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-11-6-7-19(13(3)8-11)10-16(20)18-15-5-4-14(17)9-12(15)2/h4-5,9,11,13H,6-8,10,17H2,1-3H3,(H,18,20).
What are the key properties of N-(4-amino-2-methylphenyl)-2-(2,4-dimethylpiperidin-1-yl)acetamide?
N-(4-amino-2-methylphenyl)-2-(2,4-dimethylpiperidin-1-yl)acetamide has a molecular weight of 275.40 g/mol, XLogP of 2.64, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2-methylphenyl)-2-(2,4-dimethylpiperidin-1-yl)acetamide is sourced from PubChem (CID 62345348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).