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

C17H30Cl2N4O2S — CID 119864358

IUPAC[4-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-(4-methoxypiperidin-4-yl)methanone;dihydrochloride
SMILESCCc1nc(CN2CCN(C(=O)C3(OC)CCNCC3)CC2)cs1.Cl.Cl
InChIInChI=1S/C17H28N4O2S.2ClH/c1-3-15-19-14(13-24-15)12-20-8-10-21(11-9-20)16(22)17(23-2)4-6-18-7-5-17;;/h13,18H,3-12H2,1-2H3;2*1H
InChIKeySKXCTGNSAXYVBV-UHFFFAOYSA-N
MW425.43 g/mol
LogP1.96
Rot. Bonds5

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

[4-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-(4-methoxypiperidin-4-yl)methanone;dihydrochloride (PubChem CID 119864358) has the molecular formula C17H30Cl2N4O2S and a molecular weight of 425.43 g/mol. Its IUPAC name is [4-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-(4-methoxypiperidin-4-yl)methanone;dihydrochloride.

Molecular Properties

Compound Name[4-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-(4-methoxypiperidin-4-yl)methanone;dihydrochloride
PubChem CID119864358
Molecular FormulaC17H30Cl2N4O2S
Molecular Weight425.43 g/mol
Exact Mass424.15
IUPAC Name[4-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-(4-methoxypiperidin-4-yl)methanone;dihydrochloride
SMILESCCc1nc(CN2CCN(C(=O)C3(OC)CCNCC3)CC2)cs1.Cl.Cl
InChIInChI=1S/C17H28N4O2S.2ClH/c1-3-15-19-14(13-24-15)12-20-8-10-21(11-9-20)16(22)17(23-2)4-6-18-7-5-17;;/h13,18H,3-12H2,1-2H3;2*1H
InChIKeySKXCTGNSAXYVBV-UHFFFAOYSA-N
XLogP1.96
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.43
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[4-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-[4-(methoxymethyl)piperidin-4-yl]methanone
CID 120645379
[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]-(4-methoxypiperidin-4-yl)methanone
CID 119837434
4-(2,8-diazaspiro[4.5]decan-2-ylmethyl)-2-ethyl-1,3-thiazole
CID 120907391
2-amino-1-[4-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-2-methylpropan-1-one
CID 119864313
[4-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-[4-(methoxymethyl)piperidin-4-yl]methanone
CID 120644279
(3-methylpyrrolidin-3-yl)-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone;trihydrochloride
CID 119399484
[4-(3-ethyl-1,2,4-thiadiazol-5-yl)-1,4-diazepan-1-yl]-(4-methoxypiperidin-4-yl)methanone;dihydrochloride
CID 119899792
[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]-(4-methoxypiperidin-4-yl)methanone
CID 119876180
(3-methylpyrrolidin-3-yl)-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone
CID 63143419
[4-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-morpholin-3-ylmethanone;dihydrochloride
CID 119864310
2-(4-aminophenyl)-1-[4-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]ethanone
CID 119864315
[4-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-(4-hydroxypyrrolidin-2-yl)methanone;dihydrochloride
CID 119864336

Frequently Asked Questions

What is the IUPAC name of [4-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-(4-methoxypiperidin-4-yl)methanone;dihydrochloride?
The IUPAC name of [4-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-(4-methoxypiperidin-4-yl)methanone;dihydrochloride (CID 119864358) is [4-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-(4-methoxypiperidin-4-yl)methanone;dihydrochloride.
What is the SMILES notation for [4-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-(4-methoxypiperidin-4-yl)methanone;dihydrochloride?
The canonical SMILES for [4-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-(4-methoxypiperidin-4-yl)methanone;dihydrochloride is CCc1nc(CN2CCN(C(=O)C3(OC)CCNCC3)CC2)cs1.Cl.Cl.
What is the InChIKey of [4-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-(4-methoxypiperidin-4-yl)methanone;dihydrochloride?
The InChIKey is SKXCTGNSAXYVBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O2S.2ClH/c1-3-15-19-14(13-24-15)12-20-8-10-21(11-9-20)16(22)17(23-2)4-6-18-7-5-17;;/h13,18H,3-12H2,1-2H3;2*1H.
What are the key properties of [4-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-(4-methoxypiperidin-4-yl)methanone;dihydrochloride?
[4-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-(4-methoxypiperidin-4-yl)methanone;dihydrochloride has a molecular weight of 425.43 g/mol, XLogP of 1.96, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-(4-methoxypiperidin-4-yl)methanone;dihydrochloride is sourced from PubChem (CID 119864358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).