(4-amino-3,3-dimethylpiperidin-1-yl)-[2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]phenyl]methanone;hydrochloride

C24H28ClN3O2 — CID 120819402

IUPAC(4-amino-3,3-dimethylpiperidin-1-yl)-[2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]phenyl]methanone;hydrochloride
SMILESCc1ccc(-c2cnc(-c3ccccc3C(=O)N3CCC(N)C(C)(C)C3)o2)cc1.Cl
InChIInChI=1S/C24H27N3O2.ClH/c1-16-8-10-17(11-9-16)20-14-26-22(29-20)18-6-4-5-7-19(18)23(28)27-13-12-21(25)24(2,3)15-27;/h4-11,14,21H,12-13,15,25H2,1-3H3;1H
InChIKeyISUDOMHBBDFSKP-UHFFFAOYSA-N
MW425.96 g/mol
LogP4.94
Rot. Bonds3

About (4-amino-3,3-dimethylpiperidin-1-yl)-[2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]phenyl]methanone;hydrochloride

(4-amino-3,3-dimethylpiperidin-1-yl)-[2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]phenyl]methanone;hydrochloride (PubChem CID 120819402) has the molecular formula C24H28ClN3O2 and a molecular weight of 425.96 g/mol. Its IUPAC name is (4-amino-3,3-dimethylpiperidin-1-yl)-[2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]phenyl]methanone;hydrochloride.

Molecular Properties

Compound Name(4-amino-3,3-dimethylpiperidin-1-yl)-[2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]phenyl]methanone;hydrochloride
PubChem CID120819402
Molecular FormulaC24H28ClN3O2
Molecular Weight425.96 g/mol
Exact Mass425.19
IUPAC Name(4-amino-3,3-dimethylpiperidin-1-yl)-[2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]phenyl]methanone;hydrochloride
SMILESCc1ccc(-c2cnc(-c3ccccc3C(=O)N3CCC(N)C(C)(C)C3)o2)cc1.Cl
InChIInChI=1S/C24H27N3O2.ClH/c1-16-8-10-17(11-9-16)20-14-26-22(29-20)18-6-4-5-7-19(18)23(28)27-13-12-21(25)24(2,3)15-27;/h4-11,14,21H,12-13,15,25H2,1-3H3;1H
InChIKeyISUDOMHBBDFSKP-UHFFFAOYSA-N
XLogP4.94
TPSA72.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.96
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (4-amino-3,3-dimethylpiperidin-1-yl)-[2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]phenyl]methanone;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-(5-phenyl-1,3-oxazol-2-yl)benzoyl]piperidine-4-carboxylic acid
CID 119166332
N-(4-aminocyclohexyl)-2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]benzamide;hydrochloride
CID 119476886
[2-[5-(4-ethoxyphenyl)-1,3-oxazol-2-yl]phenyl]-(4-methylpiperidin-1-yl)methanone
CID 100504958
2-[4-[2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]benzoyl]piperazin-1-yl]-1-pyrrolidin-1-ylethanone
CID 30887702
(4-amino-3,3-dimethylpiperidin-1-yl)-(2-methyl-3-pyridinyl)methanone;dihydrochloride
CID 120813989
1-[2-(5-phenyl-1,3-oxazol-2-yl)benzoyl]piperidine-3-carboxamide
CID 71901280
(3-ethylpiperidin-1-yl)-[2-(5-phenyl-1,3-oxazol-2-yl)phenyl]methanone
CID 55654983
N-methyl-2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-(2-morpholin-4-yl-2-oxoethyl)benzamide
CID 78861411
N-[[1-[2-(5-phenyl-1,3-oxazol-2-yl)benzoyl]piperidin-3-yl]methyl]methanesulfonamide
CID 47044268
3,4-dihydro-1H-isoquinolin-2-yl-[2-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]phenyl]methanone
CID 100503279
N-pentyl-1-[2-(5-phenyl-1,3-oxazol-2-yl)benzoyl]piperidine-4-carboxamide
CID 55718193
(4-amino-3,3-dimethylpiperidin-1-yl)-phenylmethanone;hydrochloride
CID 120815405

Frequently Asked Questions

What is the IUPAC name of (4-amino-3,3-dimethylpiperidin-1-yl)-[2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]phenyl]methanone;hydrochloride?
The IUPAC name of (4-amino-3,3-dimethylpiperidin-1-yl)-[2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]phenyl]methanone;hydrochloride (CID 120819402) is (4-amino-3,3-dimethylpiperidin-1-yl)-[2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]phenyl]methanone;hydrochloride.
What is the SMILES notation for (4-amino-3,3-dimethylpiperidin-1-yl)-[2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]phenyl]methanone;hydrochloride?
The canonical SMILES for (4-amino-3,3-dimethylpiperidin-1-yl)-[2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]phenyl]methanone;hydrochloride is Cc1ccc(-c2cnc(-c3ccccc3C(=O)N3CCC(N)C(C)(C)C3)o2)cc1.Cl.
What is the InChIKey of (4-amino-3,3-dimethylpiperidin-1-yl)-[2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]phenyl]methanone;hydrochloride?
The InChIKey is ISUDOMHBBDFSKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O2.ClH/c1-16-8-10-17(11-9-16)20-14-26-22(29-20)18-6-4-5-7-19(18)23(28)27-13-12-21(25)24(2,3)15-27;/h4-11,14,21H,12-13,15,25H2,1-3H3;1H.
What are the key properties of (4-amino-3,3-dimethylpiperidin-1-yl)-[2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]phenyl]methanone;hydrochloride?
(4-amino-3,3-dimethylpiperidin-1-yl)-[2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]phenyl]methanone;hydrochloride has a molecular weight of 425.96 g/mol, XLogP of 4.94, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-3,3-dimethylpiperidin-1-yl)-[2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]phenyl]methanone;hydrochloride is sourced from PubChem (CID 120819402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).