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

C19H25N3O3S — CID 120813913

IUPAC(4-amino-3,3-dimethylpiperidin-1-yl)-[3-methoxy-4-(1,3-thiazol-4-ylmethoxy)phenyl]methanone
SMILESCOc1cc(C(=O)N2CCC(N)C(C)(C)C2)ccc1OCc1cscn1
InChIInChI=1S/C19H25N3O3S/c1-19(2)11-22(7-6-17(19)20)18(23)13-4-5-15(16(8-13)24-3)25-9-14-10-26-12-21-14/h4-5,8,10,12,17H,6-7,9,11,20H2,1-3H3
InChIKeyBDRBFRWEDGGSDD-UHFFFAOYSA-N
MW375.49 g/mol
LogP2.93
Rot. Bonds5

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

(4-amino-3,3-dimethylpiperidin-1-yl)-[3-methoxy-4-(1,3-thiazol-4-ylmethoxy)phenyl]methanone (PubChem CID 120813913) has the molecular formula C19H25N3O3S and a molecular weight of 375.49 g/mol. Its IUPAC name is (4-amino-3,3-dimethylpiperidin-1-yl)-[3-methoxy-4-(1,3-thiazol-4-ylmethoxy)phenyl]methanone.

Molecular Properties

Compound Name(4-amino-3,3-dimethylpiperidin-1-yl)-[3-methoxy-4-(1,3-thiazol-4-ylmethoxy)phenyl]methanone
PubChem CID120813913
Molecular FormulaC19H25N3O3S
Molecular Weight375.49 g/mol
Exact Mass375.16
IUPAC Name(4-amino-3,3-dimethylpiperidin-1-yl)-[3-methoxy-4-(1,3-thiazol-4-ylmethoxy)phenyl]methanone
SMILESCOc1cc(C(=O)N2CCC(N)C(C)(C)C2)ccc1OCc1cscn1
InChIInChI=1S/C19H25N3O3S/c1-19(2)11-22(7-6-17(19)20)18(23)13-4-5-15(16(8-13)24-3)25-9-14-10-26-12-21-14/h4-5,8,10,12,17H,6-7,9,11,20H2,1-3H3
InChIKeyBDRBFRWEDGGSDD-UHFFFAOYSA-N
XLogP2.93
TPSA77.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.49
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Related Compounds

(4-amino-3,3-dimethylpiperidin-1-yl)-[3-methoxy-4-[(1-methylpyrazol-4-yl)methoxy]phenyl]methanone;dihydrochloride
CID 120815454
(4-methoxyphenyl)-[4-[3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzoyl]piperazin-1-yl]methanone
CID 37435693
2-[4-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-2-methoxyphenoxy]-N-methylacetamide
CID 120814212
[2-(aminomethyl)piperidin-1-yl]-[3-methoxy-4-(1,3-thiazol-4-ylmethoxy)phenyl]methanone
CID 119469673
[2-(aminomethyl)piperidin-1-yl]-[3-methoxy-4-(1,3-thiazol-4-ylmethoxy)phenyl]methanone;dihydrochloride
CID 119469672
[3-methoxy-4-(1,3-thiazol-4-ylmethoxy)phenyl]-[4-[2-(4-methylphenyl)ethyl]piperidin-1-yl]methanone
CID 39696938
1,4-diazepan-1-yl-[3-methoxy-4-(1,3-thiazol-4-ylmethoxy)phenyl]methanone
CID 119418599
2-[(2S)-4-[3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzoyl]morpholin-2-yl]acetic acid
CID 125120187
3-methoxy-N-(1-methylpiperidin-4-yl)-4-(1,3-thiazol-4-ylmethoxy)benzamide
CID 55824873
5-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-N,N-diethyl-2-methoxybenzenesulfonamide
CID 120816050
(4-amino-3,3-dimethylpiperidin-1-yl)-[3-ethoxy-4-(pyridin-3-ylmethoxy)phenyl]methanone;dihydrochloride
CID 120819680
N-[1-(2,2-difluoroethyl)piperidin-4-yl]-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide
CID 49073099

Frequently Asked Questions

What is the IUPAC name of (4-amino-3,3-dimethylpiperidin-1-yl)-[3-methoxy-4-(1,3-thiazol-4-ylmethoxy)phenyl]methanone?
The IUPAC name of (4-amino-3,3-dimethylpiperidin-1-yl)-[3-methoxy-4-(1,3-thiazol-4-ylmethoxy)phenyl]methanone (CID 120813913) is (4-amino-3,3-dimethylpiperidin-1-yl)-[3-methoxy-4-(1,3-thiazol-4-ylmethoxy)phenyl]methanone.
What is the SMILES notation for (4-amino-3,3-dimethylpiperidin-1-yl)-[3-methoxy-4-(1,3-thiazol-4-ylmethoxy)phenyl]methanone?
The canonical SMILES for (4-amino-3,3-dimethylpiperidin-1-yl)-[3-methoxy-4-(1,3-thiazol-4-ylmethoxy)phenyl]methanone is COc1cc(C(=O)N2CCC(N)C(C)(C)C2)ccc1OCc1cscn1.
What is the InChIKey of (4-amino-3,3-dimethylpiperidin-1-yl)-[3-methoxy-4-(1,3-thiazol-4-ylmethoxy)phenyl]methanone?
The InChIKey is BDRBFRWEDGGSDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3S/c1-19(2)11-22(7-6-17(19)20)18(23)13-4-5-15(16(8-13)24-3)25-9-14-10-26-12-21-14/h4-5,8,10,12,17H,6-7,9,11,20H2,1-3H3.
What are the key properties of (4-amino-3,3-dimethylpiperidin-1-yl)-[3-methoxy-4-(1,3-thiazol-4-ylmethoxy)phenyl]methanone?
(4-amino-3,3-dimethylpiperidin-1-yl)-[3-methoxy-4-(1,3-thiazol-4-ylmethoxy)phenyl]methanone has a molecular weight of 375.49 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-3,3-dimethylpiperidin-1-yl)-[3-methoxy-4-(1,3-thiazol-4-ylmethoxy)phenyl]methanone is sourced from PubChem (CID 120813913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).