1-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]-N-methyl-N-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]methanamine

C24H36N4O2S — CID 26393131

IUPAC1-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]-N-methyl-N-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]methanamine
SMILESCOc1ccc(CCN2CCC(CN(C)Cc3cnc(N4CCOCC4)s3)CC2)cc1
InChIInChI=1S/C24H36N4O2S/c1-26(19-23-17-25-24(31-23)28-13-15-30-16-14-28)18-21-8-11-27(12-9-21)10-7-20-3-5-22(29-2)6-4-20/h3-6,17,21H,7-16,18-19H2,1-2H3
InChIKeyKQCFKXYJJOSSAM-UHFFFAOYSA-N
MW444.65 g/mol
LogP3.37
Rot. Bonds9

About 1-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]-N-methyl-N-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]methanamine

1-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]-N-methyl-N-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]methanamine (PubChem CID 26393131) has the molecular formula C24H36N4O2S and a molecular weight of 444.65 g/mol. Its IUPAC name is 1-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]-N-methyl-N-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]methanamine.

Molecular Properties

Compound Name1-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]-N-methyl-N-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]methanamine
PubChem CID26393131
Molecular FormulaC24H36N4O2S
Molecular Weight444.65 g/mol
Exact Mass444.26
IUPAC Name1-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]-N-methyl-N-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]methanamine
SMILESCOc1ccc(CCN2CCC(CN(C)Cc3cnc(N4CCOCC4)s3)CC2)cc1
InChIInChI=1S/C24H36N4O2S/c1-26(19-23-17-25-24(31-23)28-13-15-30-16-14-28)18-21-8-11-27(12-9-21)10-7-20-3-5-22(29-2)6-4-20/h3-6,17,21H,7-16,18-19H2,1-2H3
InChIKeyKQCFKXYJJOSSAM-UHFFFAOYSA-N
XLogP3.37
TPSA41.07 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.65
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]-N-methyl-N-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]methanamine?
The IUPAC name of 1-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]-N-methyl-N-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]methanamine (CID 26393131) is 1-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]-N-methyl-N-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]methanamine.
What is the SMILES notation for 1-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]-N-methyl-N-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]methanamine?
The canonical SMILES for 1-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]-N-methyl-N-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]methanamine is COc1ccc(CCN2CCC(CN(C)Cc3cnc(N4CCOCC4)s3)CC2)cc1.
What is the InChIKey of 1-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]-N-methyl-N-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]methanamine?
The InChIKey is KQCFKXYJJOSSAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36N4O2S/c1-26(19-23-17-25-24(31-23)28-13-15-30-16-14-28)18-21-8-11-27(12-9-21)10-7-20-3-5-22(29-2)6-4-20/h3-6,17,21H,7-16,18-19H2,1-2H3.
What are the key properties of 1-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]-N-methyl-N-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]methanamine?
1-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]-N-methyl-N-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]methanamine has a molecular weight of 444.65 g/mol, XLogP of 3.37, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]-N-methyl-N-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]methanamine is sourced from PubChem (CID 26393131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).