N-(5-amino-2-methylphenyl)-1-butanoylpiperidine-3-carboxamide

C17H25N3O2 — CID 120568749

IUPACN-(5-amino-2-methylphenyl)-1-butanoylpiperidine-3-carboxamide
SMILESCCCC(=O)N1CCCC(C(=O)Nc2cc(N)ccc2C)C1
InChIInChI=1S/C17H25N3O2/c1-3-5-16(21)20-9-4-6-13(11-20)17(22)19-15-10-14(18)8-7-12(15)2/h7-8,10,13H,3-6,9,11,18H2,1-2H3,(H,19,22)
InChIKeyFUUUUKXMUJVQCP-UHFFFAOYSA-N
MW303.41 g/mol
LogP2.55
Rot. Bonds4

About N-(5-amino-2-methylphenyl)-1-butanoylpiperidine-3-carboxamide

N-(5-amino-2-methylphenyl)-1-butanoylpiperidine-3-carboxamide (PubChem CID 120568749) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is N-(5-amino-2-methylphenyl)-1-butanoylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-(5-amino-2-methylphenyl)-1-butanoylpiperidine-3-carboxamide
PubChem CID120568749
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC NameN-(5-amino-2-methylphenyl)-1-butanoylpiperidine-3-carboxamide
SMILESCCCC(=O)N1CCCC(C(=O)Nc2cc(N)ccc2C)C1
InChIInChI=1S/C17H25N3O2/c1-3-5-16(21)20-9-4-6-13(11-20)17(22)19-15-10-14(18)8-7-12(15)2/h7-8,10,13H,3-6,9,11,18H2,1-2H3,(H,19,22)
InChIKeyFUUUUKXMUJVQCP-UHFFFAOYSA-N
XLogP2.55
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 52.55
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)-1-(2,2-dimethylpropanoyl)piperidine-3-carboxamide
CID 120568574
3-N-(5-amino-2-methylphenyl)-1-N-(2-methylpropyl)piperidine-1,3-dicarboxamide;hydrochloride
CID 120568216
(3S)-N-(2,5-dimethylphenyl)-1-(2-phenylacetyl)piperidine-3-carboxamide
CID 51937253
(3S)-1-butanoyl-N-thiophen-3-ylpiperidine-3-carboxamide
CID 99564667
(3R)-1-(3,5-dimethylbenzoyl)-N-(2,5-dimethylphenyl)piperidine-3-carboxamide
CID 94082819
1-butanoyl-N-(6-methyl-1,3-benzothiazol-2-yl)piperidine-3-carboxamide
CID 60526922
1-butanoyl-N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]piperidine-3-carboxamide
CID 55914431
(3R)-N-(3-acetamido-4-methylphenyl)-1-(cyclopropanecarbonyl)piperidine-3-carboxamide
CID 94197165
N-(5-amino-2-methylphenyl)-4-(cyclopentanecarbonylamino)cyclohexane-1-carboxamide
CID 120568580
1-butanoyl-N-[2-(2-phenylethoxy)phenyl]piperidine-3-carboxamide
CID 55931737
1-[(3S)-1-butanoylpiperidine-3-carbonyl]-N-(5-chloro-2-hydroxyphenyl)piperidine-4-carboxamide
CID 95787732
N-(2-amino-2-methylpropyl)-1-butanoylpiperidine-3-carboxamide
CID 119629275

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2-methylphenyl)-1-butanoylpiperidine-3-carboxamide?
The IUPAC name of N-(5-amino-2-methylphenyl)-1-butanoylpiperidine-3-carboxamide (CID 120568749) is N-(5-amino-2-methylphenyl)-1-butanoylpiperidine-3-carboxamide.
What is the SMILES notation for N-(5-amino-2-methylphenyl)-1-butanoylpiperidine-3-carboxamide?
The canonical SMILES for N-(5-amino-2-methylphenyl)-1-butanoylpiperidine-3-carboxamide is CCCC(=O)N1CCCC(C(=O)Nc2cc(N)ccc2C)C1.
What is the InChIKey of N-(5-amino-2-methylphenyl)-1-butanoylpiperidine-3-carboxamide?
The InChIKey is FUUUUKXMUJVQCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2/c1-3-5-16(21)20-9-4-6-13(11-20)17(22)19-15-10-14(18)8-7-12(15)2/h7-8,10,13H,3-6,9,11,18H2,1-2H3,(H,19,22).
What are the key properties of N-(5-amino-2-methylphenyl)-1-butanoylpiperidine-3-carboxamide?
N-(5-amino-2-methylphenyl)-1-butanoylpiperidine-3-carboxamide has a molecular weight of 303.41 g/mol, XLogP of 2.55, 4 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)-1-butanoylpiperidine-3-carboxamide is sourced from PubChem (CID 120568749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).