cyclobutyl-[4-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]piperazin-1-yl]methanone

C18H28N4OS — CID 53158539

IUPACcyclobutyl-[4-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]piperazin-1-yl]methanone
SMILESO=C(C1CCC1)N1CCN(c2nc(CN3CCCCC3)cs2)CC1
InChIInChI=1S/C18H28N4OS/c23-17(15-5-4-6-15)21-9-11-22(12-10-21)18-19-16(14-24-18)13-20-7-2-1-3-8-20/h14-15H,1-13H2
InChIKeyQEISMBRCMOCTNS-UHFFFAOYSA-N
MW348.52 g/mol
LogP2.58
Rot. Bonds4

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

cyclobutyl-[4-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]piperazin-1-yl]methanone (PubChem CID 53158539) has the molecular formula C18H28N4OS and a molecular weight of 348.52 g/mol. Its IUPAC name is cyclobutyl-[4-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]piperazin-1-yl]methanone.

Molecular Properties

Compound Namecyclobutyl-[4-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]piperazin-1-yl]methanone
PubChem CID53158539
Molecular FormulaC18H28N4OS
Molecular Weight348.52 g/mol
Exact Mass348.20
IUPAC Namecyclobutyl-[4-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]piperazin-1-yl]methanone
SMILESO=C(C1CCC1)N1CCN(c2nc(CN3CCCCC3)cs2)CC1
InChIInChI=1S/C18H28N4OS/c23-17(15-5-4-6-15)21-9-11-22(12-10-21)18-19-16(14-24-18)13-20-7-2-1-3-8-20/h14-15H,1-13H2
InChIKeyQEISMBRCMOCTNS-UHFFFAOYSA-N
XLogP2.58
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 ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[4-[4-(Azepan-1-ylmethyl)-1,3-thiazol-2-yl]piperazin-1-yl]-cyclohexylmethanone
CID 53158607
[2-(4-Methylpiperazin-1-yl)-1,3-thiazol-4-yl]-piperidin-1-ylmethanone
CID 53014669
2-Cyclopentyl-1-[4-[4-(pyrrolidin-1-ylmethyl)-1,3-thiazol-2-yl]piperazin-1-yl]ethanone
CID 53158495
2-Cyclohexyl-1-{4-[4-(1-pyrrolidinylmethyl)-1,3-thiazol-2-YL]piperazino}-1-ethanone
CID 53158498
Cyclopentyl-[4-[4-(pyrrolidin-1-ylmethyl)-1,3-thiazol-2-yl]piperazin-1-yl]methanone
CID 53158499
Cyclohexyl{4-[4-(piperidinomethyl)-1,3-thiazol-2-YL]piperazino}methanone
CID 53158522
2-Cyclohexyl-1-{4-[4-(piperidinomethyl)-1,3-thiazol-2-yl]piperazino}-1-ethanone
CID 53158535
Cyclopropyl-[4-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]piperazin-1-yl]methanone
CID 53158537
Cyclohexyl(4-{4-[(4-methylpiperidino)methyl]-1,3-thiazol-2-yl}piperazino)methanone
CID 53158571
Cyclopentyl-[4-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]piperazin-1-yl]methanone
CID 53158576
Cyclopropyl-[4-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]piperazin-1-yl]methanone
CID 53158577
1-[4-[4-[(4-Methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]piperazin-1-yl]propan-1-one
CID 53158595

Frequently Asked Questions

What is the IUPAC name of cyclobutyl-[4-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]piperazin-1-yl]methanone?
The IUPAC name of cyclobutyl-[4-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]piperazin-1-yl]methanone (CID 53158539) is cyclobutyl-[4-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]piperazin-1-yl]methanone.
What is the SMILES notation for cyclobutyl-[4-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]piperazin-1-yl]methanone?
The canonical SMILES for cyclobutyl-[4-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]piperazin-1-yl]methanone is O=C(C1CCC1)N1CCN(c2nc(CN3CCCCC3)cs2)CC1.
What is the InChIKey of cyclobutyl-[4-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]piperazin-1-yl]methanone?
The InChIKey is QEISMBRCMOCTNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4OS/c23-17(15-5-4-6-15)21-9-11-22(12-10-21)18-19-16(14-24-18)13-20-7-2-1-3-8-20/h14-15H,1-13H2.
What are the key properties of cyclobutyl-[4-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]piperazin-1-yl]methanone?
cyclobutyl-[4-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]piperazin-1-yl]methanone has a molecular weight of 348.52 g/mol, XLogP of 2.58, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutyl-[4-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]piperazin-1-yl]methanone is sourced from PubChem (CID 53158539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).