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

C21H28N4O2S — CID 53161058

IUPAC[2-[4-(4-methoxyphenyl)piperazin-1-yl]-1,3-thiazol-4-yl]-(4-methylpiperidin-1-yl)methanone
SMILESCOc1ccc(N2CCN(c3nc(C(=O)N4CCC(C)CC4)cs3)CC2)cc1
InChIInChI=1S/C21H28N4O2S/c1-16-7-9-24(10-8-16)20(26)19-15-28-21(22-19)25-13-11-23(12-14-25)17-3-5-18(27-2)6-4-17/h3-6,15-16H,7-14H2,1-2H3
InChIKeyCOFNYPWXUXLPPM-UHFFFAOYSA-N
MW400.55 g/mol
LogP3.35
Rot. Bonds4

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

[2-[4-(4-methoxyphenyl)piperazin-1-yl]-1,3-thiazol-4-yl]-(4-methylpiperidin-1-yl)methanone (PubChem CID 53161058) has the molecular formula C21H28N4O2S and a molecular weight of 400.55 g/mol. Its IUPAC name is [2-[4-(4-methoxyphenyl)piperazin-1-yl]-1,3-thiazol-4-yl]-(4-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[2-[4-(4-methoxyphenyl)piperazin-1-yl]-1,3-thiazol-4-yl]-(4-methylpiperidin-1-yl)methanone
PubChem CID53161058
Molecular FormulaC21H28N4O2S
Molecular Weight400.55 g/mol
Exact Mass400.19
IUPAC Name[2-[4-(4-methoxyphenyl)piperazin-1-yl]-1,3-thiazol-4-yl]-(4-methylpiperidin-1-yl)methanone
SMILESCOc1ccc(N2CCN(c3nc(C(=O)N4CCC(C)CC4)cs3)CC2)cc1
InChIInChI=1S/C21H28N4O2S/c1-16-7-9-24(10-8-16)20(26)19-15-28-21(22-19)25-13-11-23(12-14-25)17-3-5-18(27-2)6-4-17/h3-6,15-16H,7-14H2,1-2H3
InChIKeyCOFNYPWXUXLPPM-UHFFFAOYSA-N
XLogP3.35
TPSA48.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.55
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 26643733
[5-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonylthiophen-3-yl]-(4-methylpiperidin-1-yl)methanone
CID 50777628
4-methoxy-N-[4-(4-methylpiperidine-1-carbonyl)-1,3-thiazol-2-yl]benzenesulfonamide
CID 25405477
[2-[4-(4-chlorophenyl)piperazin-1-yl]-1,3-thiazol-4-yl]-morpholin-4-ylmethanone
CID 53161116
[2-(4-phenylpiperazin-1-yl)-1,3-thiazol-4-yl]-thiomorpholin-4-ylmethanone
CID 118778045
[4-[4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-1,3-thiazol-2-yl]piperidin-1-yl]-[2-(trifluoromethyl)phenyl]methanone
CID 3715646
[4-[4-(4-methoxyphenyl)piperazin-1-yl]-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone
CID 109218095
N-[4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-1,3-thiazol-2-yl]benzamide
CID 16914901
N-[(4-fluorophenyl)methyl]-2-[4-(4-methoxyphenyl)piperazin-1-yl]-1,3-thiazole-4-carboxamide
CID 53161039
[4-[4-(4-methoxyphenyl)piperazin-1-yl]-2-pyridinyl]-pyrrolidin-1-ylmethanone
CID 109203696
2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-[(2-methylphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 71840401
[6-(4-methoxyphenyl)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 58211403

Frequently Asked Questions

What is the IUPAC name of [2-[4-(4-methoxyphenyl)piperazin-1-yl]-1,3-thiazol-4-yl]-(4-methylpiperidin-1-yl)methanone?
The IUPAC name of [2-[4-(4-methoxyphenyl)piperazin-1-yl]-1,3-thiazol-4-yl]-(4-methylpiperidin-1-yl)methanone (CID 53161058) is [2-[4-(4-methoxyphenyl)piperazin-1-yl]-1,3-thiazol-4-yl]-(4-methylpiperidin-1-yl)methanone.
What is the SMILES notation for [2-[4-(4-methoxyphenyl)piperazin-1-yl]-1,3-thiazol-4-yl]-(4-methylpiperidin-1-yl)methanone?
The canonical SMILES for [2-[4-(4-methoxyphenyl)piperazin-1-yl]-1,3-thiazol-4-yl]-(4-methylpiperidin-1-yl)methanone is COc1ccc(N2CCN(c3nc(C(=O)N4CCC(C)CC4)cs3)CC2)cc1.
What is the InChIKey of [2-[4-(4-methoxyphenyl)piperazin-1-yl]-1,3-thiazol-4-yl]-(4-methylpiperidin-1-yl)methanone?
The InChIKey is COFNYPWXUXLPPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O2S/c1-16-7-9-24(10-8-16)20(26)19-15-28-21(22-19)25-13-11-23(12-14-25)17-3-5-18(27-2)6-4-17/h3-6,15-16H,7-14H2,1-2H3.
What are the key properties of [2-[4-(4-methoxyphenyl)piperazin-1-yl]-1,3-thiazol-4-yl]-(4-methylpiperidin-1-yl)methanone?
[2-[4-(4-methoxyphenyl)piperazin-1-yl]-1,3-thiazol-4-yl]-(4-methylpiperidin-1-yl)methanone has a molecular weight of 400.55 g/mol, XLogP of 3.35, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-(4-methoxyphenyl)piperazin-1-yl]-1,3-thiazol-4-yl]-(4-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 53161058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).