cyclopropyl-[4-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]piperazin-1-yl]methanone

C18H28N4OS — CID 53158577

IUPACcyclopropyl-[4-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]piperazin-1-yl]methanone
SMILESCC1CCN(Cc2csc(N3CCN(C(=O)C4CC4)CC3)n2)CC1
InChIInChI=1S/C18H28N4OS/c1-14-4-6-20(7-5-14)12-16-13-24-18(19-16)22-10-8-21(9-11-22)17(23)15-2-3-15/h13-15H,2-12H2,1H3
InChIKeyRCWLEXCAPCTJLJ-UHFFFAOYSA-N
MW348.52 g/mol
LogP2.43
Rot. Bonds4

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

cyclopropyl-[4-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]piperazin-1-yl]methanone (PubChem CID 53158577) has the molecular formula C18H28N4OS and a molecular weight of 348.52 g/mol. Its IUPAC name is cyclopropyl-[4-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]piperazin-1-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[4-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]piperazin-1-yl]methanone
PubChem CID53158577
Molecular FormulaC18H28N4OS
Molecular Weight348.52 g/mol
Exact Mass348.20
IUPAC Namecyclopropyl-[4-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]piperazin-1-yl]methanone
SMILESCC1CCN(Cc2csc(N3CCN(C(=O)C4CC4)CC3)n2)CC1
InChIInChI=1S/C18H28N4OS/c1-14-4-6-20(7-5-14)12-16-13-24-18(19-16)22-10-8-21(9-11-22)17(23)15-2-3-15/h13-15H,2-12H2,1H3
InChIKeyRCWLEXCAPCTJLJ-UHFFFAOYSA-N
XLogP2.43
TPSA39.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.52
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze cyclopropyl-[4-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]piperazin-1-yl]methanone with MolForge

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Related Compounds

[4-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]piperazin-1-yl]-phenylmethanone
CID 53158599
cyclobutyl-[4-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]piperazin-1-yl]methanone
CID 53158631
[4-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]piperazin-1-yl]-pyridin-3-ylmethanone
CID 53200889
(4-ethoxyphenyl)-[4-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]piperazin-1-yl]methanone
CID 53158699
2-(3-chlorophenyl)-1-[4-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]piperazin-1-yl]ethanone
CID 53158717
2-cyclohexyl-1-[4-[4-(pyrrolidin-1-ylmethyl)-1,3-thiazol-2-yl]piperazin-1-yl]ethanone
CID 53158498
cyclohexyl-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone
CID 110714326
2-methoxy-1-[4-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]piperazin-1-yl]ethanone
CID 53158694
[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-piperidin-4-ylmethanone
CID 60963485
cyclohexyl-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 110710911
2-chloro-4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazole
CID 130552477
N-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-1-(2-methylpropanoyl)piperidine-4-carboxamide
CID 33211035

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[4-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]piperazin-1-yl]methanone?
The IUPAC name of cyclopropyl-[4-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]piperazin-1-yl]methanone (CID 53158577) is cyclopropyl-[4-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]piperazin-1-yl]methanone.
What is the SMILES notation for cyclopropyl-[4-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]piperazin-1-yl]methanone?
The canonical SMILES for cyclopropyl-[4-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]piperazin-1-yl]methanone is CC1CCN(Cc2csc(N3CCN(C(=O)C4CC4)CC3)n2)CC1.
What is the InChIKey of cyclopropyl-[4-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]piperazin-1-yl]methanone?
The InChIKey is RCWLEXCAPCTJLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4OS/c1-14-4-6-20(7-5-14)12-16-13-24-18(19-16)22-10-8-21(9-11-22)17(23)15-2-3-15/h13-15H,2-12H2,1H3.
What are the key properties of cyclopropyl-[4-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]piperazin-1-yl]methanone?
cyclopropyl-[4-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]piperazin-1-yl]methanone has a molecular weight of 348.52 g/mol, XLogP of 2.43, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[4-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]piperazin-1-yl]methanone is sourced from PubChem (CID 53158577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).