2-methyl-1-[4-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]piperazin-1-yl]propan-1-one

C18H30N4OS — CID 53158597

IUPAC2-methyl-1-[4-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]piperazin-1-yl]propan-1-one
SMILESCC1CCN(Cc2csc(N3CCN(C(=O)C(C)C)CC3)n2)CC1
InChIInChI=1S/C18H30N4OS/c1-14(2)17(23)21-8-10-22(11-9-21)18-19-16(13-24-18)12-20-6-4-15(3)5-7-20/h13-15H,4-12H2,1-3H3
InChIKeyLUGQDPDNTRARKN-UHFFFAOYSA-N
MW350.53 g/mol
LogP2.68
Rot. Bonds4

About 2-methyl-1-[4-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]piperazin-1-yl]propan-1-one

2-methyl-1-[4-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]piperazin-1-yl]propan-1-one (PubChem CID 53158597) has the molecular formula C18H30N4OS and a molecular weight of 350.53 g/mol. Its IUPAC name is 2-methyl-1-[4-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name2-methyl-1-[4-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]piperazin-1-yl]propan-1-one
PubChem CID53158597
Molecular FormulaC18H30N4OS
Molecular Weight350.53 g/mol
Exact Mass350.21
IUPAC Name2-methyl-1-[4-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]piperazin-1-yl]propan-1-one
SMILESCC1CCN(Cc2csc(N3CCN(C(=O)C(C)C)CC3)n2)CC1
InChIInChI=1S/C18H30N4OS/c1-14(2)17(23)21-8-10-22(11-9-21)18-19-16(13-24-18)12-20-6-4-15(3)5-7-20/h13-15H,4-12H2,1-3H3
InChIKeyLUGQDPDNTRARKN-UHFFFAOYSA-N
XLogP2.68
TPSA39.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.53
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[4-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]piperazin-1-yl]propan-1-one?
The IUPAC name of 2-methyl-1-[4-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]piperazin-1-yl]propan-1-one (CID 53158597) is 2-methyl-1-[4-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]piperazin-1-yl]propan-1-one.
What is the SMILES notation for 2-methyl-1-[4-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]piperazin-1-yl]propan-1-one?
The canonical SMILES for 2-methyl-1-[4-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]piperazin-1-yl]propan-1-one is CC1CCN(Cc2csc(N3CCN(C(=O)C(C)C)CC3)n2)CC1.
What is the InChIKey of 2-methyl-1-[4-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]piperazin-1-yl]propan-1-one?
The InChIKey is LUGQDPDNTRARKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4OS/c1-14(2)17(23)21-8-10-22(11-9-21)18-19-16(13-24-18)12-20-6-4-15(3)5-7-20/h13-15H,4-12H2,1-3H3.
What are the key properties of 2-methyl-1-[4-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]piperazin-1-yl]propan-1-one?
2-methyl-1-[4-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]piperazin-1-yl]propan-1-one has a molecular weight of 350.53 g/mol, XLogP of 2.68, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[4-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]piperazin-1-yl]propan-1-one is sourced from PubChem (CID 53158597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).