[(2S)-2-(aminomethyl)piperidin-1-yl]-[3-methoxy-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methanone

C19H25N3O3S — CID 125146266

IUPAC[(2S)-2-(aminomethyl)piperidin-1-yl]-[3-methoxy-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methanone
SMILESCOc1cc(C(=O)N2CCCC[C@H]2CN)ccc1OCc1csc(C)n1
InChIInChI=1S/C19H25N3O3S/c1-13-21-15(12-26-13)11-25-17-7-6-14(9-18(17)24-2)19(23)22-8-4-3-5-16(22)10-20/h6-7,9,12,16H,3-5,8,10-11,20H2,1-2H3/t16-/m0/s1
InChIKeyGZYGSLLWYRBPFA-INIZCTEOSA-N
MW375.49 g/mol
LogP2.99
Rot. Bonds6

About [(2S)-2-(aminomethyl)piperidin-1-yl]-[3-methoxy-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methanone

[(2S)-2-(aminomethyl)piperidin-1-yl]-[3-methoxy-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methanone (PubChem CID 125146266) has the molecular formula C19H25N3O3S and a molecular weight of 375.49 g/mol. Its IUPAC name is [(2S)-2-(aminomethyl)piperidin-1-yl]-[3-methoxy-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methanone.

Molecular Properties

Compound Name[(2S)-2-(aminomethyl)piperidin-1-yl]-[3-methoxy-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methanone
PubChem CID125146266
Molecular FormulaC19H25N3O3S
Molecular Weight375.49 g/mol
Exact Mass375.16
IUPAC Name[(2S)-2-(aminomethyl)piperidin-1-yl]-[3-methoxy-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methanone
SMILESCOc1cc(C(=O)N2CCCC[C@H]2CN)ccc1OCc1csc(C)n1
InChIInChI=1S/C19H25N3O3S/c1-13-21-15(12-26-13)11-25-17-7-6-14(9-18(17)24-2)19(23)22-8-4-3-5-16(22)10-20/h6-7,9,12,16H,3-5,8,10-11,20H2,1-2H3/t16-/m0/s1
InChIKeyGZYGSLLWYRBPFA-INIZCTEOSA-N
XLogP2.99
TPSA77.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.49
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [(2S)-2-(aminomethyl)piperidin-1-yl]-[3-methoxy-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methanone with MolForge

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Related Compounds

[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
[2-(aminomethyl)pyrrolidin-1-yl]-(3,4-dimethoxyphenyl)methanone
CID 63753428
[2-(aminomethyl)piperidin-1-yl]-(4-cyclopentyloxy-3-methoxyphenyl)methanone;hydrochloride
CID 119467821
[2-(aminomethyl)piperidin-1-yl]-[3-methoxy-4-(3-methylbutoxy)phenyl]methanone;hydrochloride
CID 119468928
[2-(aminomethyl)piperidin-1-yl]-[4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]phenyl]methanone;dihydrochloride
CID 119467582
[2-(aminomethyl)pyrrolidin-1-yl]-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methanone
CID 119634307
N-cyclopropyl-3-methoxy-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide
CID 35558311
[2-(aminomethyl)pyrrolidin-1-yl]-(4-butoxy-3-methoxyphenyl)methanone
CID 119632890
[2-(aminomethyl)piperidin-1-yl]-(3-fluoro-4-methoxyphenyl)methanone;hydrochloride
CID 119468153
(2-ethylpiperidin-1-yl)-[3-methoxy-4-(2-methylpropoxy)phenyl]methanone
CID 112760228
[2-(aminomethyl)piperidin-1-yl]-(3,4-dipropoxyphenyl)methanone;hydrochloride
CID 119469137

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-(aminomethyl)piperidin-1-yl]-[3-methoxy-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methanone?
The IUPAC name of [(2S)-2-(aminomethyl)piperidin-1-yl]-[3-methoxy-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methanone (CID 125146266) is [(2S)-2-(aminomethyl)piperidin-1-yl]-[3-methoxy-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methanone.
What is the SMILES notation for [(2S)-2-(aminomethyl)piperidin-1-yl]-[3-methoxy-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methanone?
The canonical SMILES for [(2S)-2-(aminomethyl)piperidin-1-yl]-[3-methoxy-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methanone is COc1cc(C(=O)N2CCCC[C@H]2CN)ccc1OCc1csc(C)n1.
What is the InChIKey of [(2S)-2-(aminomethyl)piperidin-1-yl]-[3-methoxy-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methanone?
The InChIKey is GZYGSLLWYRBPFA-INIZCTEOSA-N. The full InChI is InChI=1S/C19H25N3O3S/c1-13-21-15(12-26-13)11-25-17-7-6-14(9-18(17)24-2)19(23)22-8-4-3-5-16(22)10-20/h6-7,9,12,16H,3-5,8,10-11,20H2,1-2H3/t16-/m0/s1.
What are the key properties of [(2S)-2-(aminomethyl)piperidin-1-yl]-[3-methoxy-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methanone?
[(2S)-2-(aminomethyl)piperidin-1-yl]-[3-methoxy-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methanone has a molecular weight of 375.49 g/mol, XLogP of 2.99, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-(aminomethyl)piperidin-1-yl]-[3-methoxy-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methanone is sourced from PubChem (CID 125146266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).