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

C21H28N4OS — CID 53158599

IUPAC[4-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]piperazin-1-yl]-phenylmethanone
SMILESCC1CCN(Cc2csc(N3CCN(C(=O)c4ccccc4)CC3)n2)CC1
InChIInChI=1S/C21H28N4OS/c1-17-7-9-23(10-8-17)15-19-16-27-21(22-19)25-13-11-24(12-14-25)20(26)18-5-3-2-4-6-18/h2-6,16-17H,7-15H2,1H3
InChIKeyPBWLMNNIXOQOPB-UHFFFAOYSA-N
MW384.55 g/mol
LogP3.34
Rot. Bonds4

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

[4-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]piperazin-1-yl]-phenylmethanone (PubChem CID 53158599) has the molecular formula C21H28N4OS and a molecular weight of 384.55 g/mol. Its IUPAC name is [4-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]piperazin-1-yl]-phenylmethanone.

Molecular Properties

Compound Name[4-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]piperazin-1-yl]-phenylmethanone
PubChem CID53158599
Molecular FormulaC21H28N4OS
Molecular Weight384.55 g/mol
Exact Mass384.20
IUPAC Name[4-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]piperazin-1-yl]-phenylmethanone
SMILESCC1CCN(Cc2csc(N3CCN(C(=O)c4ccccc4)CC3)n2)CC1
InChIInChI=1S/C21H28N4OS/c1-17-7-9-23(10-8-17)15-19-16-27-21(22-19)25-13-11-24(12-14-25)20(26)18-5-3-2-4-6-18/h2-6,16-17H,7-15H2,1H3
InChIKeyPBWLMNNIXOQOPB-UHFFFAOYSA-N
XLogP3.34
TPSA39.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.55
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[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
cyclopropyl-[4-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]piperazin-1-yl]methanone
CID 53158577
2-(3-chlorophenyl)-1-[4-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]piperazin-1-yl]ethanone
CID 53158717
(3-methoxyphenyl)-[4-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]piperazin-1-yl]methanone
CID 53158524
1-benzoyl-N-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]pyrrolidine-2-carboxamide
CID 112813953
(1-benzoylpiperidin-4-yl)-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,4-diazepan-1-yl]methanone
CID 23823635
(3-fluoro-4-methylphenyl)-[4-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]piperazin-1-yl]methanone
CID 53158644
(2,6-difluorophenyl)-[4-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]piperazin-1-yl]methanone
CID 53158646
furan-2-yl-[4-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]piperazin-1-yl]methanone
CID 53158649
2-cyclohexyl-1-[4-[4-(pyrrolidin-1-ylmethyl)-1,3-thiazol-2-yl]piperazin-1-yl]ethanone
CID 53158498
(4-methylpiperidin-1-yl)-[4-[(4-phenylpiperazin-1-yl)methyl]phenyl]methanone
CID 1137062

Frequently Asked Questions

What is the IUPAC name of [4-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]piperazin-1-yl]-phenylmethanone?
The IUPAC name of [4-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]piperazin-1-yl]-phenylmethanone (CID 53158599) is [4-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]piperazin-1-yl]-phenylmethanone.
What is the SMILES notation for [4-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]piperazin-1-yl]-phenylmethanone?
The canonical SMILES for [4-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]piperazin-1-yl]-phenylmethanone is CC1CCN(Cc2csc(N3CCN(C(=O)c4ccccc4)CC3)n2)CC1.
What is the InChIKey of [4-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]piperazin-1-yl]-phenylmethanone?
The InChIKey is PBWLMNNIXOQOPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4OS/c1-17-7-9-23(10-8-17)15-19-16-27-21(22-19)25-13-11-24(12-14-25)20(26)18-5-3-2-4-6-18/h2-6,16-17H,7-15H2,1H3.
What are the key properties of [4-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]piperazin-1-yl]-phenylmethanone?
[4-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]piperazin-1-yl]-phenylmethanone has a molecular weight of 384.55 g/mol, XLogP of 3.34, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]piperazin-1-yl]-phenylmethanone is sourced from PubChem (CID 53158599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).