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

C23H32N4O2S — CID 53158699

IUPAC(4-ethoxyphenyl)-[4-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]piperazin-1-yl]methanone
SMILESCCOc1ccc(C(=O)N2CCN(c3nc(CN4CCC(C)CC4)cs3)CC2)cc1
InChIInChI=1S/C23H32N4O2S/c1-3-29-21-6-4-19(5-7-21)22(28)26-12-14-27(15-13-26)23-24-20(17-30-23)16-25-10-8-18(2)9-11-25/h4-7,17-18H,3,8-16H2,1-2H3
InChIKeyDHPCKQAAYVJPHH-UHFFFAOYSA-N
MW428.60 g/mol
LogP3.74
Rot. Bonds6

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

(4-ethoxyphenyl)-[4-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]piperazin-1-yl]methanone (PubChem CID 53158699) has the molecular formula C23H32N4O2S and a molecular weight of 428.60 g/mol. Its IUPAC name is (4-ethoxyphenyl)-[4-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(4-ethoxyphenyl)-[4-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]piperazin-1-yl]methanone
PubChem CID53158699
Molecular FormulaC23H32N4O2S
Molecular Weight428.60 g/mol
Exact Mass428.22
IUPAC Name(4-ethoxyphenyl)-[4-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]piperazin-1-yl]methanone
SMILESCCOc1ccc(C(=O)N2CCN(c3nc(CN4CCC(C)CC4)cs3)CC2)cc1
InChIInChI=1S/C23H32N4O2S/c1-3-29-21-6-4-19(5-7-21)22(28)26-12-14-27(15-13-26)23-24-20(17-30-23)16-25-10-8-18(2)9-11-25/h4-7,17-18H,3,8-16H2,1-2H3
InChIKeyDHPCKQAAYVJPHH-UHFFFAOYSA-N
XLogP3.74
TPSA48.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.60
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[4-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]piperazin-1-yl]-phenylmethanone
CID 53158599
[4-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]piperazin-1-yl]-pyridin-3-ylmethanone
CID 53200889
cyclopropyl-[4-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]piperazin-1-yl]methanone
CID 53158577
aziridin-1-yl-(4-ethoxyphenyl)methanone
CID 121216936
(3-methoxyphenyl)-[4-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]piperazin-1-yl]methanone
CID 53158524
2-(3-chlorophenyl)-1-[4-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]piperazin-1-yl]ethanone
CID 53158717
2-(4-methoxyphenoxy)-1-[4-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]piperazin-1-yl]ethanone
CID 53158764
(3-fluoro-4-methylphenyl)-[4-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]piperazin-1-yl]methanone
CID 53158644
(4-methylpiperidin-1-yl)-[4-[(4-methyl-1,3-thiazol-2-yl)methoxy]phenyl]methanone
CID 121094253
(4-methylpiperidin-1-yl)-[1-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoyl]piperidin-4-yl]methanone
CID 55949056
[4-(4-chloro-1,3-benzothiazol-2-yl)piperazin-1-yl]-(4-ethoxyphenyl)methanone
CID 7539538
N-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-4-(1,3-thiazol-4-ylmethoxy)benzamide
CID 134049693

Frequently Asked Questions

What is the IUPAC name of (4-ethoxyphenyl)-[4-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]piperazin-1-yl]methanone?
The IUPAC name of (4-ethoxyphenyl)-[4-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]piperazin-1-yl]methanone (CID 53158699) is (4-ethoxyphenyl)-[4-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]piperazin-1-yl]methanone.
What is the SMILES notation for (4-ethoxyphenyl)-[4-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]piperazin-1-yl]methanone?
The canonical SMILES for (4-ethoxyphenyl)-[4-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]piperazin-1-yl]methanone is CCOc1ccc(C(=O)N2CCN(c3nc(CN4CCC(C)CC4)cs3)CC2)cc1.
What is the InChIKey of (4-ethoxyphenyl)-[4-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]piperazin-1-yl]methanone?
The InChIKey is DHPCKQAAYVJPHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N4O2S/c1-3-29-21-6-4-19(5-7-21)22(28)26-12-14-27(15-13-26)23-24-20(17-30-23)16-25-10-8-18(2)9-11-25/h4-7,17-18H,3,8-16H2,1-2H3.
What are the key properties of (4-ethoxyphenyl)-[4-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]piperazin-1-yl]methanone?
(4-ethoxyphenyl)-[4-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]piperazin-1-yl]methanone has a molecular weight of 428.60 g/mol, XLogP of 3.74, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethoxyphenyl)-[4-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]piperazin-1-yl]methanone is sourced from PubChem (CID 53158699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).