N-(3-amino-4-piperidin-1-ylphenyl)-2-methylpropanamide

C15H23N3O — CID 91676092

IUPACN-(3-amino-4-piperidin-1-ylphenyl)-2-methylpropanamide
SMILESCC(C)C(=O)Nc1ccc(N2CCCCC2)c(N)c1
InChIInChI=1S/C15H23N3O/c1-11(2)15(19)17-12-6-7-14(13(16)10-12)18-8-4-3-5-9-18/h6-7,10-11H,3-5,8-9,16H2,1-2H3,(H,17,19)
InChIKeyNOJUIGIJGFWUTF-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.85
Rot. Bonds3

About N-(3-amino-4-piperidin-1-ylphenyl)-2-methylpropanamide

N-(3-amino-4-piperidin-1-ylphenyl)-2-methylpropanamide (PubChem CID 91676092) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is N-(3-amino-4-piperidin-1-ylphenyl)-2-methylpropanamide.

Molecular Properties

Compound NameN-(3-amino-4-piperidin-1-ylphenyl)-2-methylpropanamide
PubChem CID91676092
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC NameN-(3-amino-4-piperidin-1-ylphenyl)-2-methylpropanamide
SMILESCC(C)C(=O)Nc1ccc(N2CCCCC2)c(N)c1
InChIInChI=1S/C15H23N3O/c1-11(2)15(19)17-12-6-7-14(13(16)10-12)18-8-4-3-5-9-18/h6-7,10-11H,3-5,8-9,16H2,1-2H3,(H,17,19)
InChIKeyNOJUIGIJGFWUTF-UHFFFAOYSA-N
XLogP2.85
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(3-amino-4-morpholin-4-ylphenyl)-2-methylpropanamide
CID 28688940
N-(3-amino-4-pyrrolidin-1-ylphenyl)butanamide
CID 91676069
N-(4-amino-3-piperidin-1-ylphenyl)acetamide
CID 69310437
N-(3-amino-4-piperidin-1-ylphenyl)-3-methylbenzamide
CID 91676338
2-methyl-N-(3-piperidin-1-ylphenyl)propanamide
CID 47379438
(2S)-2-chloro-N-(3-chloro-4-pyrrolidin-1-ylphenyl)propanamide
CID 51670700
N-(3-amino-4-pyrrolidin-1-ylphenyl)-2,4-dichlorobenzamide
CID 91676429
N-benzyl-5-(2-methylpropanoylamino)-2-piperidin-1-ylbenzamide
CID 1065967
N-(3-amino-4-piperidin-1-ylphenyl)-2-methoxybenzamide
CID 91676435
N-(3-amino-4-morpholin-4-ylphenyl)acetamide
CID 42560587
2-methyl-N-(3-methyl-4-morpholin-4-ylphenyl)propanamide
CID 50896215
(2S)-2-amino-N-(3-fluoro-4-pyrrolidin-1-ylphenyl)butanamide
CID 79024792

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-piperidin-1-ylphenyl)-2-methylpropanamide?
The IUPAC name of N-(3-amino-4-piperidin-1-ylphenyl)-2-methylpropanamide (CID 91676092) is N-(3-amino-4-piperidin-1-ylphenyl)-2-methylpropanamide.
What is the SMILES notation for N-(3-amino-4-piperidin-1-ylphenyl)-2-methylpropanamide?
The canonical SMILES for N-(3-amino-4-piperidin-1-ylphenyl)-2-methylpropanamide is CC(C)C(=O)Nc1ccc(N2CCCCC2)c(N)c1.
What is the InChIKey of N-(3-amino-4-piperidin-1-ylphenyl)-2-methylpropanamide?
The InChIKey is NOJUIGIJGFWUTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-11(2)15(19)17-12-6-7-14(13(16)10-12)18-8-4-3-5-9-18/h6-7,10-11H,3-5,8-9,16H2,1-2H3,(H,17,19).
What are the key properties of N-(3-amino-4-piperidin-1-ylphenyl)-2-methylpropanamide?
N-(3-amino-4-piperidin-1-ylphenyl)-2-methylpropanamide has a molecular weight of 261.37 g/mol, XLogP of 2.85, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-piperidin-1-ylphenyl)-2-methylpropanamide is sourced from PubChem (CID 91676092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).