N-(5-amino-2-methylphenyl)-1-(2,2-dimethylpropanoyl)piperidine-3-carboxamide

C18H27N3O2 — CID 120568574

IUPACN-(5-amino-2-methylphenyl)-1-(2,2-dimethylpropanoyl)piperidine-3-carboxamide
SMILESCc1ccc(N)cc1NC(=O)C1CCCN(C(=O)C(C)(C)C)C1
InChIInChI=1S/C18H27N3O2/c1-12-7-8-14(19)10-15(12)20-16(22)13-6-5-9-21(11-13)17(23)18(2,3)4/h7-8,10,13H,5-6,9,11,19H2,1-4H3,(H,20,22)
InChIKeyJALPZMLMGPKISD-UHFFFAOYSA-N
MW317.43 g/mol
LogP2.80
Rot. Bonds2

About N-(5-amino-2-methylphenyl)-1-(2,2-dimethylpropanoyl)piperidine-3-carboxamide

N-(5-amino-2-methylphenyl)-1-(2,2-dimethylpropanoyl)piperidine-3-carboxamide (PubChem CID 120568574) has the molecular formula C18H27N3O2 and a molecular weight of 317.43 g/mol. Its IUPAC name is N-(5-amino-2-methylphenyl)-1-(2,2-dimethylpropanoyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(5-amino-2-methylphenyl)-1-(2,2-dimethylpropanoyl)piperidine-3-carboxamide
PubChem CID120568574
Molecular FormulaC18H27N3O2
Molecular Weight317.43 g/mol
Exact Mass317.21
IUPAC NameN-(5-amino-2-methylphenyl)-1-(2,2-dimethylpropanoyl)piperidine-3-carboxamide
SMILESCc1ccc(N)cc1NC(=O)C1CCCN(C(=O)C(C)(C)C)C1
InChIInChI=1S/C18H27N3O2/c1-12-7-8-14(19)10-15(12)20-16(22)13-6-5-9-21(11-13)17(23)18(2,3)4/h7-8,10,13H,5-6,9,11,19H2,1-4H3,(H,20,22)
InChIKeyJALPZMLMGPKISD-UHFFFAOYSA-N
XLogP2.80
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 52.80
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-butanoylpiperidine-3-carboxamide
CID 120568749
N-(3,4-dimethylphenyl)-1-(2,2-dimethylpropanoyl)piperidine-3-carboxamide
CID 47984504
3-N-(5-amino-2-methylphenyl)-1-N-(2-methylpropyl)piperidine-1,3-dicarboxamide;hydrochloride
CID 120568216
(3R)-N-(3-chloro-4-methylphenyl)-1-(2,2-dimethylpropanoyl)piperidine-3-carboxamide
CID 94857626
(3R)-N-(2-chlorophenyl)-1-(2,2-dimethylpropanoyl)piperidine-3-carboxamide
CID 94857586
(3R)-1-(3,5-dimethylbenzoyl)-N-(2,5-dimethylphenyl)piperidine-3-carboxamide
CID 94082819
N-(2,4-dimethoxyphenyl)-1-(2,2-dimethylpropanoyl)piperidine-3-carboxamide
CID 47987007
(3S)-1-(2,2-dimethylpropanoyl)-N-(2-methoxyphenyl)piperidine-3-carboxamide
CID 94857559
N-(2,5-dimethoxyphenyl)-1-(2,2-dimethylpropanoyl)piperidine-3-carboxamide
CID 47986267
1-(2,2-dimethylpropanoyl)piperidine-3-carbohydrazide
CID 54793989
(3S)-N-(3-chlorophenyl)-1-(2,2-dimethylpropanoyl)piperidine-3-carboxamide
CID 94857593
N-(5-amino-2-methylphenyl)-4-(cyclopentanecarbonylamino)cyclohexane-1-carboxamide
CID 120568580

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2-methylphenyl)-1-(2,2-dimethylpropanoyl)piperidine-3-carboxamide?
The IUPAC name of N-(5-amino-2-methylphenyl)-1-(2,2-dimethylpropanoyl)piperidine-3-carboxamide (CID 120568574) is N-(5-amino-2-methylphenyl)-1-(2,2-dimethylpropanoyl)piperidine-3-carboxamide.
What is the SMILES notation for N-(5-amino-2-methylphenyl)-1-(2,2-dimethylpropanoyl)piperidine-3-carboxamide?
The canonical SMILES for N-(5-amino-2-methylphenyl)-1-(2,2-dimethylpropanoyl)piperidine-3-carboxamide is Cc1ccc(N)cc1NC(=O)C1CCCN(C(=O)C(C)(C)C)C1.
What is the InChIKey of N-(5-amino-2-methylphenyl)-1-(2,2-dimethylpropanoyl)piperidine-3-carboxamide?
The InChIKey is JALPZMLMGPKISD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2/c1-12-7-8-14(19)10-15(12)20-16(22)13-6-5-9-21(11-13)17(23)18(2,3)4/h7-8,10,13H,5-6,9,11,19H2,1-4H3,(H,20,22).
What are the key properties of N-(5-amino-2-methylphenyl)-1-(2,2-dimethylpropanoyl)piperidine-3-carboxamide?
N-(5-amino-2-methylphenyl)-1-(2,2-dimethylpropanoyl)piperidine-3-carboxamide has a molecular weight of 317.43 g/mol, XLogP of 2.80, 2 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-(2,2-dimethylpropanoyl)piperidine-3-carboxamide is sourced from PubChem (CID 120568574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).