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

C16H25N3O2 — CID 102956099

IUPACN-(3-amino-2-methylphenyl)-2-(3-hydroxy-4-methylpiperidin-1-yl)propanamide
SMILESCc1c(N)cccc1NC(=O)C(C)N1CCC(C)C(O)C1
InChIInChI=1S/C16H25N3O2/c1-10-7-8-19(9-15(10)20)12(3)16(21)18-14-6-4-5-13(17)11(14)2/h4-6,10,12,15,20H,7-9,17H2,1-3H3,(H,18,21)
InChIKeyZRXAASGKWUBERM-UHFFFAOYSA-N
MW291.39 g/mol
LogP1.61
Rot. Bonds3

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

N-(3-amino-2-methylphenyl)-2-(3-hydroxy-4-methylpiperidin-1-yl)propanamide (PubChem CID 102956099) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is N-(3-amino-2-methylphenyl)-2-(3-hydroxy-4-methylpiperidin-1-yl)propanamide.

Molecular Properties

Compound NameN-(3-amino-2-methylphenyl)-2-(3-hydroxy-4-methylpiperidin-1-yl)propanamide
PubChem CID102956099
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC NameN-(3-amino-2-methylphenyl)-2-(3-hydroxy-4-methylpiperidin-1-yl)propanamide
SMILESCc1c(N)cccc1NC(=O)C(C)N1CCC(C)C(O)C1
InChIInChI=1S/C16H25N3O2/c1-10-7-8-19(9-15(10)20)12(3)16(21)18-14-6-4-5-13(17)11(14)2/h4-6,10,12,15,20H,7-9,17H2,1-3H3,(H,18,21)
InChIKeyZRXAASGKWUBERM-UHFFFAOYSA-N
XLogP1.61
TPSA78.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 51.61
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-(3-amino-2-methylphenyl)-2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]propanamide
CID 114797183
N-(2-aminophenyl)-2-(3-hydroxypyrrolidin-1-yl)propanamide
CID 62942601
N-(3-amino-4-chlorophenyl)-2-(3-hydroxy-4-methylpiperidin-1-yl)propanamide
CID 102955990
N-(3-amino-4-fluorophenyl)-2-(3-hydroxy-4-methylpiperidin-1-yl)propanamide
CID 102956094
N-(3-amino-2-methylphenyl)-2-(1,4-thiazepan-4-yl)propanamide
CID 61418715
2-(3-hydroxy-4-methylpiperidin-1-yl)propanehydrazide
CID 102968624
N-(3-amino-2-methylphenyl)-2-(5-oxo-1,4-diazepan-1-yl)propanamide
CID 63002831
N-(3-amino-2-methylphenyl)-2-(2,5-dimethylmorpholin-4-yl)propanamide
CID 43544182
N-(4-amino-2-methylphenyl)-2-(4-hydroxy-3-methylpiperidin-1-yl)propanamide
CID 114677853
N-(4-cyanophenyl)-2-(3-hydroxy-4-methylpiperidin-1-yl)propanamide
CID 103898485
1-[(2S)-1-(3-chloro-2-methylanilino)-1-oxopropan-2-yl]piperidine-4-carboxamide
CID 9443547
N-(5-amino-2-methylphenyl)-2-(3-hydroxypyrrolidin-1-yl)propanamide
CID 62941496

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2-methylphenyl)-2-(3-hydroxy-4-methylpiperidin-1-yl)propanamide?
The IUPAC name of N-(3-amino-2-methylphenyl)-2-(3-hydroxy-4-methylpiperidin-1-yl)propanamide (CID 102956099) is N-(3-amino-2-methylphenyl)-2-(3-hydroxy-4-methylpiperidin-1-yl)propanamide.
What is the SMILES notation for N-(3-amino-2-methylphenyl)-2-(3-hydroxy-4-methylpiperidin-1-yl)propanamide?
The canonical SMILES for N-(3-amino-2-methylphenyl)-2-(3-hydroxy-4-methylpiperidin-1-yl)propanamide is Cc1c(N)cccc1NC(=O)C(C)N1CCC(C)C(O)C1.
What is the InChIKey of N-(3-amino-2-methylphenyl)-2-(3-hydroxy-4-methylpiperidin-1-yl)propanamide?
The InChIKey is ZRXAASGKWUBERM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-10-7-8-19(9-15(10)20)12(3)16(21)18-14-6-4-5-13(17)11(14)2/h4-6,10,12,15,20H,7-9,17H2,1-3H3,(H,18,21).
What are the key properties of N-(3-amino-2-methylphenyl)-2-(3-hydroxy-4-methylpiperidin-1-yl)propanamide?
N-(3-amino-2-methylphenyl)-2-(3-hydroxy-4-methylpiperidin-1-yl)propanamide has a molecular weight of 291.39 g/mol, XLogP of 1.61, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2-methylphenyl)-2-(3-hydroxy-4-methylpiperidin-1-yl)propanamide is sourced from PubChem (CID 102956099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).