N-(4-amino-2-methylphenyl)-2-(3-hydroxypiperidin-1-yl)propanamide

C15H23N3O2 — CID 43575281

IUPACN-(4-amino-2-methylphenyl)-2-(3-hydroxypiperidin-1-yl)propanamide
SMILESCc1cc(N)ccc1NC(=O)C(C)N1CCCC(O)C1
InChIInChI=1S/C15H23N3O2/c1-10-8-12(16)5-6-14(10)17-15(20)11(2)18-7-3-4-13(19)9-18/h5-6,8,11,13,19H,3-4,7,9,16H2,1-2H3,(H,17,20)
InChIKeyCASYFNKLRDBFIG-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.36
Rot. Bonds3

About N-(4-amino-2-methylphenyl)-2-(3-hydroxypiperidin-1-yl)propanamide

N-(4-amino-2-methylphenyl)-2-(3-hydroxypiperidin-1-yl)propanamide (PubChem CID 43575281) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is N-(4-amino-2-methylphenyl)-2-(3-hydroxypiperidin-1-yl)propanamide.

Molecular Properties

Compound NameN-(4-amino-2-methylphenyl)-2-(3-hydroxypiperidin-1-yl)propanamide
PubChem CID43575281
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC NameN-(4-amino-2-methylphenyl)-2-(3-hydroxypiperidin-1-yl)propanamide
SMILESCc1cc(N)ccc1NC(=O)C(C)N1CCCC(O)C1
InChIInChI=1S/C15H23N3O2/c1-10-8-12(16)5-6-14(10)17-15(20)11(2)18-7-3-4-13(19)9-18/h5-6,8,11,13,19H,3-4,7,9,16H2,1-2H3,(H,17,20)
InChIKeyCASYFNKLRDBFIG-UHFFFAOYSA-N
XLogP1.36
TPSA78.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.36
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

N-(4-amino-2-methylphenyl)-2-(3,4-dihydroxypyrrolidin-1-yl)propanamide
CID 106667934
N-(4-amino-2-methylphenyl)-2-(4-hydroxy-3-methylpiperidin-1-yl)propanamide
CID 114677853
N-(5-amino-2-methylphenyl)-2-(3-hydroxypyrrolidin-1-yl)propanamide
CID 62941496
N-(4-amino-2-methylphenyl)-2-(2-methyl-1,4-oxazepan-4-yl)propanamide
CID 62989125
N-(4-amino-2-methylphenyl)-2-(4-methylpiperidin-1-yl)propanamide
CID 16779551
N-(4-amino-2-methylphenyl)-2-(2,6-dimethylmorpholin-4-yl)propanamide
CID 16778867
N-(3-aminophenyl)-2-(3-hydroxypyrrolidin-1-yl)propanamide
CID 62916842
N-(2,3-dichlorophenyl)-2-(3-hydroxypiperidin-1-yl)propanamide
CID 47103111
ethyl 1-[1-(2,4-dimethylanilino)-1-oxopropan-2-yl]piperidine-3-carboxylate
CID 46631046
N-(2-aminophenyl)-2-(3-hydroxypyrrolidin-1-yl)propanamide
CID 62942601
N-(2-fluoro-4-methylphenyl)-2-[(3S)-3-hydroxypyrrolidin-1-yl]propanamide
CID 111333977
N-(4-amino-2-chlorophenyl)-2-piperidin-1-ylpropanamide
CID 16786642

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-methylphenyl)-2-(3-hydroxypiperidin-1-yl)propanamide?
The IUPAC name of N-(4-amino-2-methylphenyl)-2-(3-hydroxypiperidin-1-yl)propanamide (CID 43575281) is N-(4-amino-2-methylphenyl)-2-(3-hydroxypiperidin-1-yl)propanamide.
What is the SMILES notation for N-(4-amino-2-methylphenyl)-2-(3-hydroxypiperidin-1-yl)propanamide?
The canonical SMILES for N-(4-amino-2-methylphenyl)-2-(3-hydroxypiperidin-1-yl)propanamide is Cc1cc(N)ccc1NC(=O)C(C)N1CCCC(O)C1.
What is the InChIKey of N-(4-amino-2-methylphenyl)-2-(3-hydroxypiperidin-1-yl)propanamide?
The InChIKey is CASYFNKLRDBFIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-10-8-12(16)5-6-14(10)17-15(20)11(2)18-7-3-4-13(19)9-18/h5-6,8,11,13,19H,3-4,7,9,16H2,1-2H3,(H,17,20).
What are the key properties of N-(4-amino-2-methylphenyl)-2-(3-hydroxypiperidin-1-yl)propanamide?
N-(4-amino-2-methylphenyl)-2-(3-hydroxypiperidin-1-yl)propanamide has a molecular weight of 277.37 g/mol, XLogP of 1.36, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2-methylphenyl)-2-(3-hydroxypiperidin-1-yl)propanamide is sourced from PubChem (CID 43575281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).