[2-(4-ethylphenyl)piperazin-1-yl]-[1-(4-methyl-1,3-thiazol-2-yl)piperidin-4-yl]methanone;dihydrochloride

C22H32Cl2N4OS — CID 120740376

IUPAC[2-(4-ethylphenyl)piperazin-1-yl]-[1-(4-methyl-1,3-thiazol-2-yl)piperidin-4-yl]methanone;dihydrochloride
SMILESCCc1ccc(C2CNCCN2C(=O)C2CCN(c3nc(C)cs3)CC2)cc1.Cl.Cl
InChIInChI=1S/C22H30N4OS.2ClH/c1-3-17-4-6-18(7-5-17)20-14-23-10-13-26(20)21(27)19-8-11-25(12-9-19)22-24-16(2)15-28-22;;/h4-7,15,19-20,23H,3,8-14H2,1-2H3;2*1H
InChIKeyMQOXMJBGVSCSGZ-UHFFFAOYSA-N
MW471.50 g/mol
LogP4.25
Rot. Bonds4

About [2-(4-ethylphenyl)piperazin-1-yl]-[1-(4-methyl-1,3-thiazol-2-yl)piperidin-4-yl]methanone;dihydrochloride

[2-(4-ethylphenyl)piperazin-1-yl]-[1-(4-methyl-1,3-thiazol-2-yl)piperidin-4-yl]methanone;dihydrochloride (PubChem CID 120740376) has the molecular formula C22H32Cl2N4OS and a molecular weight of 471.50 g/mol. Its IUPAC name is [2-(4-ethylphenyl)piperazin-1-yl]-[1-(4-methyl-1,3-thiazol-2-yl)piperidin-4-yl]methanone;dihydrochloride.

Molecular Properties

Compound Name[2-(4-ethylphenyl)piperazin-1-yl]-[1-(4-methyl-1,3-thiazol-2-yl)piperidin-4-yl]methanone;dihydrochloride
PubChem CID120740376
Molecular FormulaC22H32Cl2N4OS
Molecular Weight471.50 g/mol
Exact Mass470.17
IUPAC Name[2-(4-ethylphenyl)piperazin-1-yl]-[1-(4-methyl-1,3-thiazol-2-yl)piperidin-4-yl]methanone;dihydrochloride
SMILESCCc1ccc(C2CNCCN2C(=O)C2CCN(c3nc(C)cs3)CC2)cc1.Cl.Cl
InChIInChI=1S/C22H30N4OS.2ClH/c1-3-17-4-6-18(7-5-17)20-14-23-10-13-26(20)21(27)19-8-11-25(12-9-19)22-24-16(2)15-28-22;;/h4-7,15,19-20,23H,3,8-14H2,1-2H3;2*1H
InChIKeyMQOXMJBGVSCSGZ-UHFFFAOYSA-N
XLogP4.25
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.50
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

cyclohexyl-[2-(4-ethylphenyl)piperazin-1-yl]methanone;hydrochloride
CID 120740582
cyclopentyl-[2-(4-ethylphenyl)piperazin-1-yl]methanone
CID 120741701
1-[4-[2-(4-ethylphenyl)piperazine-1-carbonyl]piperidin-1-yl]ethanone
CID 120741677
[2-(4-ethylphenyl)piperazin-1-yl]-(thian-4-yl)methanone
CID 120741561
4-[2-(4-ethylphenyl)piperazine-1-carbonyl]piperidine-1-sulfonamide;hydrochloride
CID 120740686
[2-(4-ethylphenyl)piperazin-1-yl]-[1-(pyrrolidine-1-carbonyl)piperidin-4-yl]methanone
CID 120741621
4-[2-(4-ethylphenyl)piperazine-1-carbonyl]piperidin-2-one;hydrochloride
CID 120741572
1-[3-[2-(4-ethylphenyl)piperazine-1-carbonyl]piperidin-1-yl]butan-1-one;hydrochloride
CID 120740910
[2-(4-ethylphenyl)piperazin-1-yl]-thiophen-3-ylmethanone;hydrochloride
CID 120740518
[2-(4-ethylphenyl)piperazin-1-yl]-(1-ethylsulfonylpiperidin-3-yl)methanone
CID 120740951
1-[2-(4-ethylphenyl)piperazin-1-yl]butan-1-one
CID 120740551
1-[4-[2-(4-ethylphenyl)piperazine-1-carbonyl]-1,3-thiazolidin-3-yl]ethanone;hydrochloride
CID 120741358

Frequently Asked Questions

What is the IUPAC name of [2-(4-ethylphenyl)piperazin-1-yl]-[1-(4-methyl-1,3-thiazol-2-yl)piperidin-4-yl]methanone;dihydrochloride?
The IUPAC name of [2-(4-ethylphenyl)piperazin-1-yl]-[1-(4-methyl-1,3-thiazol-2-yl)piperidin-4-yl]methanone;dihydrochloride (CID 120740376) is [2-(4-ethylphenyl)piperazin-1-yl]-[1-(4-methyl-1,3-thiazol-2-yl)piperidin-4-yl]methanone;dihydrochloride.
What is the SMILES notation for [2-(4-ethylphenyl)piperazin-1-yl]-[1-(4-methyl-1,3-thiazol-2-yl)piperidin-4-yl]methanone;dihydrochloride?
The canonical SMILES for [2-(4-ethylphenyl)piperazin-1-yl]-[1-(4-methyl-1,3-thiazol-2-yl)piperidin-4-yl]methanone;dihydrochloride is CCc1ccc(C2CNCCN2C(=O)C2CCN(c3nc(C)cs3)CC2)cc1.Cl.Cl.
What is the InChIKey of [2-(4-ethylphenyl)piperazin-1-yl]-[1-(4-methyl-1,3-thiazol-2-yl)piperidin-4-yl]methanone;dihydrochloride?
The InChIKey is MQOXMJBGVSCSGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4OS.2ClH/c1-3-17-4-6-18(7-5-17)20-14-23-10-13-26(20)21(27)19-8-11-25(12-9-19)22-24-16(2)15-28-22;;/h4-7,15,19-20,23H,3,8-14H2,1-2H3;2*1H.
What are the key properties of [2-(4-ethylphenyl)piperazin-1-yl]-[1-(4-methyl-1,3-thiazol-2-yl)piperidin-4-yl]methanone;dihydrochloride?
[2-(4-ethylphenyl)piperazin-1-yl]-[1-(4-methyl-1,3-thiazol-2-yl)piperidin-4-yl]methanone;dihydrochloride has a molecular weight of 471.50 g/mol, XLogP of 4.25, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-ethylphenyl)piperazin-1-yl]-[1-(4-methyl-1,3-thiazol-2-yl)piperidin-4-yl]methanone;dihydrochloride is sourced from PubChem (CID 120740376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).