N-(5-amino-2-methylphenyl)-3-(4-hydroxy-4-methylpiperidin-1-yl)propanamide

C16H25N3O2 — CID 81099067

IUPACN-(5-amino-2-methylphenyl)-3-(4-hydroxy-4-methylpiperidin-1-yl)propanamide
SMILESCc1ccc(N)cc1NC(=O)CCN1CCC(C)(O)CC1
InChIInChI=1S/C16H25N3O2/c1-12-3-4-13(17)11-14(12)18-15(20)5-8-19-9-6-16(2,21)7-10-19/h3-4,11,21H,5-10,17H2,1-2H3,(H,18,20)
InChIKeyPGCDWEDRDVPJAZ-UHFFFAOYSA-N
MW291.39 g/mol
LogP1.75
Rot. Bonds4

About N-(5-amino-2-methylphenyl)-3-(4-hydroxy-4-methylpiperidin-1-yl)propanamide

N-(5-amino-2-methylphenyl)-3-(4-hydroxy-4-methylpiperidin-1-yl)propanamide (PubChem CID 81099067) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is N-(5-amino-2-methylphenyl)-3-(4-hydroxy-4-methylpiperidin-1-yl)propanamide.

Molecular Properties

Compound NameN-(5-amino-2-methylphenyl)-3-(4-hydroxy-4-methylpiperidin-1-yl)propanamide
PubChem CID81099067
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC NameN-(5-amino-2-methylphenyl)-3-(4-hydroxy-4-methylpiperidin-1-yl)propanamide
SMILESCc1ccc(N)cc1NC(=O)CCN1CCC(C)(O)CC1
InChIInChI=1S/C16H25N3O2/c1-12-3-4-13(17)11-14(12)18-15(20)5-8-19-9-6-16(2,21)7-10-19/h3-4,11,21H,5-10,17H2,1-2H3,(H,18,20)
InChIKeyPGCDWEDRDVPJAZ-UHFFFAOYSA-N
XLogP1.75
TPSA78.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 51.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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N-(5-amino-2-methylphenyl)-3-[3-(dimethylamino)pyrrolidin-1-yl]propanamide
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N-(5-amino-2-methylphenyl)-3-(2-oxopyrrolidin-1-yl)propanamide
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CID 43447503
N-(5-amino-2-methylphenyl)-3-(3,5-dimethylpyrazol-1-yl)propanamide
CID 16786199
N-(5-amino-2-methylphenyl)-3-(2-methylpyrrolidin-1-yl)propanamide
CID 54881990
N-(4-amino-2-chlorophenyl)-4-(3-hydroxy-3-methylpyrrolidin-1-yl)butanamide
CID 103355525
N-(5-amino-2-methylphenyl)-3-(3,4,5-trimethylpyrazol-1-yl)propanamide
CID 61225930
N-(4-aminophenyl)-3-(4,4-dimethylpiperidin-1-yl)propanamide
CID 62937712
N-(5-amino-2-methylphenyl)-2-(3-hydroxy-3-methylpyrrolidin-1-yl)propanamide
CID 103355465
N-(5-amino-2-chlorophenyl)-2-(3-hydroxy-3-methylpyrrolidin-1-yl)acetamide
CID 103355475

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2-methylphenyl)-3-(4-hydroxy-4-methylpiperidin-1-yl)propanamide?
The IUPAC name of N-(5-amino-2-methylphenyl)-3-(4-hydroxy-4-methylpiperidin-1-yl)propanamide (CID 81099067) is N-(5-amino-2-methylphenyl)-3-(4-hydroxy-4-methylpiperidin-1-yl)propanamide.
What is the SMILES notation for N-(5-amino-2-methylphenyl)-3-(4-hydroxy-4-methylpiperidin-1-yl)propanamide?
The canonical SMILES for N-(5-amino-2-methylphenyl)-3-(4-hydroxy-4-methylpiperidin-1-yl)propanamide is Cc1ccc(N)cc1NC(=O)CCN1CCC(C)(O)CC1.
What is the InChIKey of N-(5-amino-2-methylphenyl)-3-(4-hydroxy-4-methylpiperidin-1-yl)propanamide?
The InChIKey is PGCDWEDRDVPJAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-12-3-4-13(17)11-14(12)18-15(20)5-8-19-9-6-16(2,21)7-10-19/h3-4,11,21H,5-10,17H2,1-2H3,(H,18,20).
What are the key properties of N-(5-amino-2-methylphenyl)-3-(4-hydroxy-4-methylpiperidin-1-yl)propanamide?
N-(5-amino-2-methylphenyl)-3-(4-hydroxy-4-methylpiperidin-1-yl)propanamide has a molecular weight of 291.39 g/mol, XLogP of 1.75, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-2-methylphenyl)-3-(4-hydroxy-4-methylpiperidin-1-yl)propanamide is sourced from PubChem (CID 81099067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).