N-[1-(5-amino-2-methylbenzoyl)piperidin-4-yl]-2-methylpropanamide

C17H25N3O2 — CID 120623742

IUPACN-[1-(5-amino-2-methylbenzoyl)piperidin-4-yl]-2-methylpropanamide
SMILESCc1ccc(N)cc1C(=O)N1CCC(NC(=O)C(C)C)CC1
InChIInChI=1S/C17H25N3O2/c1-11(2)16(21)19-14-6-8-20(9-7-14)17(22)15-10-13(18)5-4-12(15)3/h4-5,10-11,14H,6-9,18H2,1-3H3,(H,19,21)
InChIKeyZLQICISKCMDDCO-UHFFFAOYSA-N
MW303.41 g/mol
LogP1.95
Rot. Bonds3

About N-[1-(5-amino-2-methylbenzoyl)piperidin-4-yl]-2-methylpropanamide

N-[1-(5-amino-2-methylbenzoyl)piperidin-4-yl]-2-methylpropanamide (PubChem CID 120623742) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is N-[1-(5-amino-2-methylbenzoyl)piperidin-4-yl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[1-(5-amino-2-methylbenzoyl)piperidin-4-yl]-2-methylpropanamide
PubChem CID120623742
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC NameN-[1-(5-amino-2-methylbenzoyl)piperidin-4-yl]-2-methylpropanamide
SMILESCc1ccc(N)cc1C(=O)N1CCC(NC(=O)C(C)C)CC1
InChIInChI=1S/C17H25N3O2/c1-11(2)16(21)19-14-6-8-20(9-7-14)17(22)15-10-13(18)5-4-12(15)3/h4-5,10-11,14H,6-9,18H2,1-3H3,(H,19,21)
InChIKeyZLQICISKCMDDCO-UHFFFAOYSA-N
XLogP1.95
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 51.95
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

(5-amino-2-methylphenyl)-(4-propan-2-ylpiperidin-1-yl)methanone
CID 103504921
5-amino-2-methyl-N-[1-(3-methylbutanoyl)piperidin-4-yl]benzamide;hydrochloride
CID 120626448
(5-amino-2-methylphenyl)-[4-(2-methylpropoxy)piperidin-1-yl]methanone
CID 120624806
N-[1-(2,5-dichlorobenzoyl)piperidin-4-yl]-2-methylpropanamide
CID 108558507
(5-amino-2-methylphenyl)-(4-methylazepan-1-yl)methanone;hydrochloride
CID 120626598
(5-amino-2-methylphenyl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone;dihydrochloride
CID 120641373
1-(5-amino-2-methylbenzoyl)-N-propylpiperidine-4-carboxamide
CID 120619834
(5-amino-2-methylphenyl)-[3-(2-methylpropyl)pyrrolidin-1-yl]methanone;hydrochloride
CID 120632288
(5-amino-2-methylphenyl)-[4-(3,5-dimethoxyanilino)piperidin-1-yl]methanone;dihydrochloride
CID 120647636
[1-(cyclopropylamino)-1-oxopropan-2-yl] 5-amino-2-methylbenzoate
CID 61322475
5-amino-N-(1-cyclopentylpiperidin-4-yl)-2-methylbenzamide
CID 120641743
(5-amino-2-methylphenyl)-(3-ethylpyrrolidin-1-yl)methanone
CID 113416759

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-amino-2-methylbenzoyl)piperidin-4-yl]-2-methylpropanamide?
The IUPAC name of N-[1-(5-amino-2-methylbenzoyl)piperidin-4-yl]-2-methylpropanamide (CID 120623742) is N-[1-(5-amino-2-methylbenzoyl)piperidin-4-yl]-2-methylpropanamide.
What is the SMILES notation for N-[1-(5-amino-2-methylbenzoyl)piperidin-4-yl]-2-methylpropanamide?
The canonical SMILES for N-[1-(5-amino-2-methylbenzoyl)piperidin-4-yl]-2-methylpropanamide is Cc1ccc(N)cc1C(=O)N1CCC(NC(=O)C(C)C)CC1.
What is the InChIKey of N-[1-(5-amino-2-methylbenzoyl)piperidin-4-yl]-2-methylpropanamide?
The InChIKey is ZLQICISKCMDDCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2/c1-11(2)16(21)19-14-6-8-20(9-7-14)17(22)15-10-13(18)5-4-12(15)3/h4-5,10-11,14H,6-9,18H2,1-3H3,(H,19,21).
What are the key properties of N-[1-(5-amino-2-methylbenzoyl)piperidin-4-yl]-2-methylpropanamide?
N-[1-(5-amino-2-methylbenzoyl)piperidin-4-yl]-2-methylpropanamide has a molecular weight of 303.41 g/mol, XLogP of 1.95, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-amino-2-methylbenzoyl)piperidin-4-yl]-2-methylpropanamide is sourced from PubChem (CID 120623742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).