N-(5-amino-2-methylphenyl)-4-(2-methylpiperidin-1-yl)butanamide

C17H27N3O — CID 16779127

IUPACN-(5-amino-2-methylphenyl)-4-(2-methylpiperidin-1-yl)butanamide
SMILESCc1ccc(N)cc1NC(=O)CCCN1CCCCC1C
InChIInChI=1S/C17H27N3O/c1-13-8-9-15(18)12-16(13)19-17(21)7-5-11-20-10-4-3-6-14(20)2/h8-9,12,14H,3-7,10-11,18H2,1-2H3,(H,19,21)
InChIKeyMLOAHBKZVFRCGL-UHFFFAOYSA-N
MW289.42 g/mol
LogP3.17
Rot. Bonds5

About N-(5-amino-2-methylphenyl)-4-(2-methylpiperidin-1-yl)butanamide

N-(5-amino-2-methylphenyl)-4-(2-methylpiperidin-1-yl)butanamide (PubChem CID 16779127) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is N-(5-amino-2-methylphenyl)-4-(2-methylpiperidin-1-yl)butanamide.

Molecular Properties

Compound NameN-(5-amino-2-methylphenyl)-4-(2-methylpiperidin-1-yl)butanamide
PubChem CID16779127
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC NameN-(5-amino-2-methylphenyl)-4-(2-methylpiperidin-1-yl)butanamide
SMILESCc1ccc(N)cc1NC(=O)CCCN1CCCCC1C
InChIInChI=1S/C17H27N3O/c1-13-8-9-15(18)12-16(13)19-17(21)7-5-11-20-10-4-3-6-14(20)2/h8-9,12,14H,3-7,10-11,18H2,1-2H3,(H,19,21)
InChIKeyMLOAHBKZVFRCGL-UHFFFAOYSA-N
XLogP3.17
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 53.17
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-(5-amino-2-methylphenyl)-3-(2-methylpyrrolidin-1-yl)propanamide
CID 54881990
N-(3-aminophenyl)-4-(2-methylpyrrolidin-1-yl)butanamide
CID 54881953
N-(5-amino-2-methylphenyl)-3-(3-methylmorpholin-4-yl)propanamide
CID 43541688
N-(5-amino-2-methylphenyl)-2-[2-(hydroxymethyl)piperidin-1-yl]acetamide
CID 61406897
N-(3-aminophenyl)-3-(2-methylpiperidin-1-yl)propanamide
CID 16778633
N-[4-(5-amino-2-methylanilino)-4-oxobutyl]cyclopropanecarboxamide
CID 120568117
N-[5-amino-2-(2-methylpiperidin-1-yl)phenyl]pentanamide
CID 91675384
N-(5-amino-2-methylphenyl)-3-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]propanamide
CID 102777659
N-(2-aminophenyl)-3-(2-methylpiperidin-1-yl)propanamide
CID 16779613
N-(5-amino-2-methylphenyl)-4-pyrrolidin-1-ylsulfonylbutanamide;hydrochloride
CID 120568084
N-[5-amino-2-[(2R)-2-methylpiperidin-1-yl]phenyl]hexanamide
CID 100803137
N-(5-amino-2-methylphenyl)-3-[3-(dimethylamino)pyrrolidin-1-yl]propanamide
CID 63166537

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2-methylphenyl)-4-(2-methylpiperidin-1-yl)butanamide?
The IUPAC name of N-(5-amino-2-methylphenyl)-4-(2-methylpiperidin-1-yl)butanamide (CID 16779127) is N-(5-amino-2-methylphenyl)-4-(2-methylpiperidin-1-yl)butanamide.
What is the SMILES notation for N-(5-amino-2-methylphenyl)-4-(2-methylpiperidin-1-yl)butanamide?
The canonical SMILES for N-(5-amino-2-methylphenyl)-4-(2-methylpiperidin-1-yl)butanamide is Cc1ccc(N)cc1NC(=O)CCCN1CCCCC1C.
What is the InChIKey of N-(5-amino-2-methylphenyl)-4-(2-methylpiperidin-1-yl)butanamide?
The InChIKey is MLOAHBKZVFRCGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-13-8-9-15(18)12-16(13)19-17(21)7-5-11-20-10-4-3-6-14(20)2/h8-9,12,14H,3-7,10-11,18H2,1-2H3,(H,19,21).
What are the key properties of N-(5-amino-2-methylphenyl)-4-(2-methylpiperidin-1-yl)butanamide?
N-(5-amino-2-methylphenyl)-4-(2-methylpiperidin-1-yl)butanamide has a molecular weight of 289.42 g/mol, XLogP of 3.17, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-2-methylphenyl)-4-(2-methylpiperidin-1-yl)butanamide is sourced from PubChem (CID 16779127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).