[4-(methoxymethyl)piperidin-4-yl]-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]methanone

C16H26N4O2S — CID 120642696

IUPAC[4-(methoxymethyl)piperidin-4-yl]-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]methanone
SMILESCOCC1(C(=O)N2CCN(c3nc(C)cs3)CC2)CCNCC1
InChIInChI=1S/C16H26N4O2S/c1-13-11-23-15(18-13)20-9-7-19(8-10-20)14(21)16(12-22-2)3-5-17-6-4-16/h11,17H,3-10,12H2,1-2H3
InChIKeyAGMSMBGIJKWUQJ-UHFFFAOYSA-N
MW338.48 g/mol
LogP1.12
Rot. Bonds4

About [4-(methoxymethyl)piperidin-4-yl]-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]methanone

[4-(methoxymethyl)piperidin-4-yl]-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]methanone (PubChem CID 120642696) has the molecular formula C16H26N4O2S and a molecular weight of 338.48 g/mol. Its IUPAC name is [4-(methoxymethyl)piperidin-4-yl]-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[4-(methoxymethyl)piperidin-4-yl]-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]methanone
PubChem CID120642696
Molecular FormulaC16H26N4O2S
Molecular Weight338.48 g/mol
Exact Mass338.18
IUPAC Name[4-(methoxymethyl)piperidin-4-yl]-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]methanone
SMILESCOCC1(C(=O)N2CCN(c3nc(C)cs3)CC2)CCNCC1
InChIInChI=1S/C16H26N4O2S/c1-13-11-23-15(18-13)20-9-7-19(8-10-20)14(21)16(12-22-2)3-5-17-6-4-16/h11,17H,3-10,12H2,1-2H3
InChIKeyAGMSMBGIJKWUQJ-UHFFFAOYSA-N
XLogP1.12
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.48
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-(methoxymethyl)piperidin-4-yl]-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]methanone?
The IUPAC name of [4-(methoxymethyl)piperidin-4-yl]-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]methanone (CID 120642696) is [4-(methoxymethyl)piperidin-4-yl]-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]methanone.
What is the SMILES notation for [4-(methoxymethyl)piperidin-4-yl]-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]methanone?
The canonical SMILES for [4-(methoxymethyl)piperidin-4-yl]-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]methanone is COCC1(C(=O)N2CCN(c3nc(C)cs3)CC2)CCNCC1.
What is the InChIKey of [4-(methoxymethyl)piperidin-4-yl]-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]methanone?
The InChIKey is AGMSMBGIJKWUQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O2S/c1-13-11-23-15(18-13)20-9-7-19(8-10-20)14(21)16(12-22-2)3-5-17-6-4-16/h11,17H,3-10,12H2,1-2H3.
What are the key properties of [4-(methoxymethyl)piperidin-4-yl]-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]methanone?
[4-(methoxymethyl)piperidin-4-yl]-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]methanone has a molecular weight of 338.48 g/mol, XLogP of 1.12, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(methoxymethyl)piperidin-4-yl]-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 120642696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).