1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]piperidin-4-amine

C21H32N4OS — CID 126787482

IUPAC1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]piperidin-4-amine
SMILESCOc1c(C)cnc(CN2CCC(N(C)CCc3scnc3C)CC2)c1C
InChIInChI=1S/C21H32N4OS/c1-15-12-22-19(16(2)21(15)26-5)13-25-10-6-18(7-11-25)24(4)9-8-20-17(3)23-14-27-20/h12,14,18H,6-11,13H2,1-5H3
InChIKeyLVCXASURSBPLMD-UHFFFAOYSA-N
MW388.58 g/mol
LogP3.61
Rot. Bonds7

About 1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]piperidin-4-amine

1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]piperidin-4-amine (PubChem CID 126787482) has the molecular formula C21H32N4OS and a molecular weight of 388.58 g/mol. Its IUPAC name is 1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]piperidin-4-amine.

Molecular Properties

Compound Name1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]piperidin-4-amine
PubChem CID126787482
Molecular FormulaC21H32N4OS
Molecular Weight388.58 g/mol
Exact Mass388.23
IUPAC Name1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]piperidin-4-amine
SMILESCOc1c(C)cnc(CN2CCC(N(C)CCc3scnc3C)CC2)c1C
InChIInChI=1S/C21H32N4OS/c1-15-12-22-19(16(2)21(15)26-5)13-25-10-6-18(7-11-25)24(4)9-8-20-17(3)23-14-27-20/h12,14,18H,6-11,13H2,1-5H3
InChIKeyLVCXASURSBPLMD-UHFFFAOYSA-N
XLogP3.61
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.58
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]piperidin-4-amine?
The IUPAC name of 1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]piperidin-4-amine (CID 126787482) is 1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]piperidin-4-amine.
What is the SMILES notation for 1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]piperidin-4-amine?
The canonical SMILES for 1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]piperidin-4-amine is COc1c(C)cnc(CN2CCC(N(C)CCc3scnc3C)CC2)c1C.
What is the InChIKey of 1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]piperidin-4-amine?
The InChIKey is LVCXASURSBPLMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N4OS/c1-15-12-22-19(16(2)21(15)26-5)13-25-10-6-18(7-11-25)24(4)9-8-20-17(3)23-14-27-20/h12,14,18H,6-11,13H2,1-5H3.
What are the key properties of 1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]piperidin-4-amine?
1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]piperidin-4-amine has a molecular weight of 388.58 g/mol, XLogP of 3.61, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]piperidin-4-amine is sourced from PubChem (CID 126787482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).