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

C16H25N3O — CID 16779551

IUPACN-(4-amino-2-methylphenyl)-2-(4-methylpiperidin-1-yl)propanamide
SMILESCc1cc(N)ccc1NC(=O)C(C)N1CCC(C)CC1
InChIInChI=1S/C16H25N3O/c1-11-6-8-19(9-7-11)13(3)16(20)18-15-5-4-14(17)10-12(15)2/h4-5,10-11,13H,6-9,17H2,1-3H3,(H,18,20)
InChIKeySZKNKUUFUCZAAA-UHFFFAOYSA-N
MW275.40 g/mol
LogP2.64
Rot. Bonds3

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

N-(4-amino-2-methylphenyl)-2-(4-methylpiperidin-1-yl)propanamide (PubChem CID 16779551) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is N-(4-amino-2-methylphenyl)-2-(4-methylpiperidin-1-yl)propanamide.

Molecular Properties

Compound NameN-(4-amino-2-methylphenyl)-2-(4-methylpiperidin-1-yl)propanamide
PubChem CID16779551
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC NameN-(4-amino-2-methylphenyl)-2-(4-methylpiperidin-1-yl)propanamide
SMILESCc1cc(N)ccc1NC(=O)C(C)N1CCC(C)CC1
InChIInChI=1S/C16H25N3O/c1-11-6-8-19(9-7-11)13(3)16(20)18-15-5-4-14(17)10-12(15)2/h4-5,10-11,13H,6-9,17H2,1-3H3,(H,18,20)
InChIKeySZKNKUUFUCZAAA-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-(4-amino-2-methylphenyl)-2-(4-hydroxy-3-methylpiperidin-1-yl)propanamide
CID 114677853
N-(4-amino-2-methylphenyl)-2-(3,4-dihydroxypyrrolidin-1-yl)propanamide
CID 106667934
N-(4-amino-2-methylphenyl)-2-(2,6-dimethylmorpholin-4-yl)propanamide
CID 16778867
N-(4-amino-2-methylphenyl)-2-(3-hydroxypiperidin-1-yl)propanamide
CID 43575281
N-(4-amino-2-methylphenyl)-2-(2-methyl-1,4-oxazepan-4-yl)propanamide
CID 62989125
N-(2-bromo-4-methylphenyl)-2-(4-methylpiperidin-1-yl)propanamide
CID 46631156
N-(4-amino-2-chlorophenyl)-2-(4-ethylpiperidin-1-yl)propanamide
CID 61421371
N-(4-amino-2-chlorophenyl)-3-methyl-2-(4-methylpiperidin-1-yl)butanamide
CID 82224757
N-(5-amino-2-methylphenyl)-2-(3-hydroxypyrrolidin-1-yl)propanamide
CID 62941496
N-(4-amino-2-methylphenyl)-2-(3-methylmorpholin-4-yl)propanamide
CID 43541684
N-(2-amino-4-fluorophenyl)-2-(4-methylazepan-1-yl)propanamide
CID 63622745
N-(4-amino-2-methylphenyl)-2-methylpropanamide
CID 960642

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-methylphenyl)-2-(4-methylpiperidin-1-yl)propanamide?
The IUPAC name of N-(4-amino-2-methylphenyl)-2-(4-methylpiperidin-1-yl)propanamide (CID 16779551) is N-(4-amino-2-methylphenyl)-2-(4-methylpiperidin-1-yl)propanamide.
What is the SMILES notation for N-(4-amino-2-methylphenyl)-2-(4-methylpiperidin-1-yl)propanamide?
The canonical SMILES for N-(4-amino-2-methylphenyl)-2-(4-methylpiperidin-1-yl)propanamide is Cc1cc(N)ccc1NC(=O)C(C)N1CCC(C)CC1.
What is the InChIKey of N-(4-amino-2-methylphenyl)-2-(4-methylpiperidin-1-yl)propanamide?
The InChIKey is SZKNKUUFUCZAAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-11-6-8-19(9-7-11)13(3)16(20)18-15-5-4-14(17)10-12(15)2/h4-5,10-11,13H,6-9,17H2,1-3H3,(H,18,20).
What are the key properties of N-(4-amino-2-methylphenyl)-2-(4-methylpiperidin-1-yl)propanamide?
N-(4-amino-2-methylphenyl)-2-(4-methylpiperidin-1-yl)propanamide 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-(4-methylpiperidin-1-yl)propanamide is sourced from PubChem (CID 16779551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).