(4-amino-3,3-dimethylpiperidin-1-yl)-[3-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methanone

C19H25N3O2S — CID 120814742

IUPAC(4-amino-3,3-dimethylpiperidin-1-yl)-[3-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methanone
SMILESCc1nc(COc2cccc(C(=O)N3CCC(N)C(C)(C)C3)c2)cs1
InChIInChI=1S/C19H25N3O2S/c1-13-21-15(11-25-13)10-24-16-6-4-5-14(9-16)18(23)22-8-7-17(20)19(2,3)12-22/h4-6,9,11,17H,7-8,10,12,20H2,1-3H3
InChIKeyVZYGZEMMZRDMHW-UHFFFAOYSA-N
MW359.50 g/mol
LogP3.23
Rot. Bonds4

About (4-amino-3,3-dimethylpiperidin-1-yl)-[3-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methanone

(4-amino-3,3-dimethylpiperidin-1-yl)-[3-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methanone (PubChem CID 120814742) has the molecular formula C19H25N3O2S and a molecular weight of 359.50 g/mol. Its IUPAC name is (4-amino-3,3-dimethylpiperidin-1-yl)-[3-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methanone.

Molecular Properties

Compound Name(4-amino-3,3-dimethylpiperidin-1-yl)-[3-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methanone
PubChem CID120814742
Molecular FormulaC19H25N3O2S
Molecular Weight359.50 g/mol
Exact Mass359.17
IUPAC Name(4-amino-3,3-dimethylpiperidin-1-yl)-[3-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methanone
SMILESCc1nc(COc2cccc(C(=O)N3CCC(N)C(C)(C)C3)c2)cs1
InChIInChI=1S/C19H25N3O2S/c1-13-21-15(11-25-13)10-24-16-6-4-5-14(9-16)18(23)22-8-7-17(20)19(2,3)12-22/h4-6,9,11,17H,7-8,10,12,20H2,1-3H3
InChIKeyVZYGZEMMZRDMHW-UHFFFAOYSA-N
XLogP3.23
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.50
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (4-amino-3,3-dimethylpiperidin-1-yl)-[3-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methanone with MolForge

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Related Compounds

[(3S)-3-aminopiperidin-1-yl]-[3-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methanone
CID 124628209
[4-(3-aminopropoxy)piperidin-1-yl]-[3-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methanone;dihydrochloride
CID 119663690
(3R)-1-[3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoyl]piperidine-3-carboxylic acid
CID 124574822
N-(1-acetylpiperidin-4-yl)-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide
CID 46657248
5-methyl-1-[3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoyl]piperidine-3-carboxylic acid
CID 122117926
[4-[(5S)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]piperazin-1-yl]-[3-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methanone
CID 95778296
N-(4-aminocyclohexyl)-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide;dihydrochloride
CID 119477541
[3-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)methanone
CID 86859757
[(2R,5R)-2,5-dimethylmorpholin-4-yl]-[3-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methanone
CID 94051440
4-[3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoyl]-1,3-dihydroquinoxalin-2-one
CID 27018519
(E)-1-(4-benzoylpiperidin-1-yl)-3-[3-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]prop-2-en-1-one
CID 41310347
2-(3-acetylphenoxy)-1-(4-amino-3,3-dimethylpiperidin-1-yl)ethanone
CID 120815322

Frequently Asked Questions

What is the IUPAC name of (4-amino-3,3-dimethylpiperidin-1-yl)-[3-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methanone?
The IUPAC name of (4-amino-3,3-dimethylpiperidin-1-yl)-[3-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methanone (CID 120814742) is (4-amino-3,3-dimethylpiperidin-1-yl)-[3-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methanone.
What is the SMILES notation for (4-amino-3,3-dimethylpiperidin-1-yl)-[3-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methanone?
The canonical SMILES for (4-amino-3,3-dimethylpiperidin-1-yl)-[3-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methanone is Cc1nc(COc2cccc(C(=O)N3CCC(N)C(C)(C)C3)c2)cs1.
What is the InChIKey of (4-amino-3,3-dimethylpiperidin-1-yl)-[3-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methanone?
The InChIKey is VZYGZEMMZRDMHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2S/c1-13-21-15(11-25-13)10-24-16-6-4-5-14(9-16)18(23)22-8-7-17(20)19(2,3)12-22/h4-6,9,11,17H,7-8,10,12,20H2,1-3H3.
What are the key properties of (4-amino-3,3-dimethylpiperidin-1-yl)-[3-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methanone?
(4-amino-3,3-dimethylpiperidin-1-yl)-[3-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methanone has a molecular weight of 359.50 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-3,3-dimethylpiperidin-1-yl)-[3-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methanone is sourced from PubChem (CID 120814742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).