N-(2-amino-4-methylphenyl)-2-(4-propan-2-ylpiperidin-1-yl)acetamide

C17H27N3O — CID 103505292

IUPACN-(2-amino-4-methylphenyl)-2-(4-propan-2-ylpiperidin-1-yl)acetamide
SMILESCc1ccc(NC(=O)CN2CCC(C(C)C)CC2)c(N)c1
InChIInChI=1S/C17H27N3O/c1-12(2)14-6-8-20(9-7-14)11-17(21)19-16-5-4-13(3)10-15(16)18/h4-5,10,12,14H,6-9,11,18H2,1-3H3,(H,19,21)
InChIKeyCYVHWBNYRQOZHX-UHFFFAOYSA-N
MW289.42 g/mol
LogP2.88
Rot. Bonds4

About N-(2-amino-4-methylphenyl)-2-(4-propan-2-ylpiperidin-1-yl)acetamide

N-(2-amino-4-methylphenyl)-2-(4-propan-2-ylpiperidin-1-yl)acetamide (PubChem CID 103505292) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is N-(2-amino-4-methylphenyl)-2-(4-propan-2-ylpiperidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(2-amino-4-methylphenyl)-2-(4-propan-2-ylpiperidin-1-yl)acetamide
PubChem CID103505292
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC NameN-(2-amino-4-methylphenyl)-2-(4-propan-2-ylpiperidin-1-yl)acetamide
SMILESCc1ccc(NC(=O)CN2CCC(C(C)C)CC2)c(N)c1
InChIInChI=1S/C17H27N3O/c1-12(2)14-6-8-20(9-7-14)11-17(21)19-16-5-4-13(3)10-15(16)18/h4-5,10,12,14H,6-9,11,18H2,1-3H3,(H,19,21)
InChIKeyCYVHWBNYRQOZHX-UHFFFAOYSA-N
XLogP2.88
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 ≤ 52.88
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-(2-amino-5-chlorophenyl)-2-(4-propan-2-ylpiperidin-1-yl)acetamide
CID 103505319
N-(3-amino-2-methylphenyl)-2-(4-propan-2-ylpiperidin-1-yl)acetamide
CID 103505272
N-(2,4-dimethylphenyl)-2-[4-(1-hydroxyethyl)piperidin-1-yl]acetamide
CID 103657286
2-[4-(1-aminoethyl)piperidin-1-yl]-N-(2-bromo-4-methylphenyl)acetamide
CID 63595023
N-(2-amino-4-methylphenyl)-2-(4-methyl-1,4-diazepan-1-yl)acetamide
CID 43375794
N-(2-amino-4-methylphenyl)-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)acetamide
CID 66391472
1-[2-(2-fluoro-4-methylanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 8531194
2-[4-(1-aminoethyl)piperidin-1-yl]-N-(4-chloro-2-methylphenyl)acetamide;hydrochloride
CID 119920513
N-(2-amino-4-methylphenyl)-2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]acetamide
CID 81452037
N-(2-amino-4-methylphenyl)-3-methylpentanamide
CID 114873461
N-(2,5-dimethylphenyl)-2-(4-fluoropiperidin-1-yl)acetamide
CID 171701345
N-(2,4-dimethylphenyl)-2-(4-formylpiperidin-1-yl)acetamide
CID 62655914

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-methylphenyl)-2-(4-propan-2-ylpiperidin-1-yl)acetamide?
The IUPAC name of N-(2-amino-4-methylphenyl)-2-(4-propan-2-ylpiperidin-1-yl)acetamide (CID 103505292) is N-(2-amino-4-methylphenyl)-2-(4-propan-2-ylpiperidin-1-yl)acetamide.
What is the SMILES notation for N-(2-amino-4-methylphenyl)-2-(4-propan-2-ylpiperidin-1-yl)acetamide?
The canonical SMILES for N-(2-amino-4-methylphenyl)-2-(4-propan-2-ylpiperidin-1-yl)acetamide is Cc1ccc(NC(=O)CN2CCC(C(C)C)CC2)c(N)c1.
What is the InChIKey of N-(2-amino-4-methylphenyl)-2-(4-propan-2-ylpiperidin-1-yl)acetamide?
The InChIKey is CYVHWBNYRQOZHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-12(2)14-6-8-20(9-7-14)11-17(21)19-16-5-4-13(3)10-15(16)18/h4-5,10,12,14H,6-9,11,18H2,1-3H3,(H,19,21).
What are the key properties of N-(2-amino-4-methylphenyl)-2-(4-propan-2-ylpiperidin-1-yl)acetamide?
N-(2-amino-4-methylphenyl)-2-(4-propan-2-ylpiperidin-1-yl)acetamide has a molecular weight of 289.42 g/mol, XLogP of 2.88, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4-methylphenyl)-2-(4-propan-2-ylpiperidin-1-yl)acetamide is sourced from PubChem (CID 103505292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).