[4-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-[4-(methoxymethyl)piperidin-4-yl]methanone

C20H34N4O2S — CID 120644279

IUPAC[4-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-[4-(methoxymethyl)piperidin-4-yl]methanone
SMILESCOCC1(C(=O)N2CCN(Cc3csc(C(C)(C)C)n3)CC2)CCNCC1
InChIInChI=1S/C20H34N4O2S/c1-19(2,3)17-22-16(14-27-17)13-23-9-11-24(12-10-23)18(25)20(15-26-4)5-7-21-8-6-20/h14,21H,5-13,15H2,1-4H3
InChIKeyBBRPTGRZKKYVEP-UHFFFAOYSA-N
MW394.59 g/mol
LogP2.10
Rot. Bonds5

About [4-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-[4-(methoxymethyl)piperidin-4-yl]methanone

[4-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-[4-(methoxymethyl)piperidin-4-yl]methanone (PubChem CID 120644279) has the molecular formula C20H34N4O2S and a molecular weight of 394.59 g/mol. Its IUPAC name is [4-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-[4-(methoxymethyl)piperidin-4-yl]methanone.

Molecular Properties

Compound Name[4-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-[4-(methoxymethyl)piperidin-4-yl]methanone
PubChem CID120644279
Molecular FormulaC20H34N4O2S
Molecular Weight394.59 g/mol
Exact Mass394.24
IUPAC Name[4-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-[4-(methoxymethyl)piperidin-4-yl]methanone
SMILESCOCC1(C(=O)N2CCN(Cc3csc(C(C)(C)C)n3)CC2)CCNCC1
InChIInChI=1S/C20H34N4O2S/c1-19(2,3)17-22-16(14-27-17)13-23-9-11-24(12-10-23)18(25)20(15-26-4)5-7-21-8-6-20/h14,21H,5-13,15H2,1-4H3
InChIKeyBBRPTGRZKKYVEP-UHFFFAOYSA-N
XLogP2.10
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.59
LogP ≤ 52.10
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
3-[4-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-1-piperazin-1-ylpropan-1-one;dihydrochloride
CID 120982492
1-[4-[4-(methoxymethyl)piperidine-4-carbonyl]piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 120620516
[4-(2-methoxyethyl)piperazin-1-yl]-[4-(methoxymethyl)piperidin-4-yl]methanone
CID 120640752
1-[4-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-2-cyclopropylethanone
CID 166185003
[4-(methoxymethyl)piperidin-4-yl]-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 120642696
[4-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-(4-methoxypiperidin-4-yl)methanone;dihydrochloride
CID 119864358
4-(methoxymethyl)-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide;dihydrochloride
CID 120639846
4-(methoxymethyl)-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide;dihydrochloride
CID 120639856
[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]-[4-(methoxymethyl)piperidin-4-yl]methanone
CID 120640711
4-[4-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]butan-1-ol
CID 110931935
3-amino-1-[4-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]butan-1-one;dihydrochloride
CID 119857685

Frequently Asked Questions

What is the IUPAC name of [4-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-[4-(methoxymethyl)piperidin-4-yl]methanone?
The IUPAC name of [4-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-[4-(methoxymethyl)piperidin-4-yl]methanone (CID 120644279) is [4-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-[4-(methoxymethyl)piperidin-4-yl]methanone.
What is the SMILES notation for [4-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-[4-(methoxymethyl)piperidin-4-yl]methanone?
The canonical SMILES for [4-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-[4-(methoxymethyl)piperidin-4-yl]methanone is COCC1(C(=O)N2CCN(Cc3csc(C(C)(C)C)n3)CC2)CCNCC1.
What is the InChIKey of [4-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-[4-(methoxymethyl)piperidin-4-yl]methanone?
The InChIKey is BBRPTGRZKKYVEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34N4O2S/c1-19(2,3)17-22-16(14-27-17)13-23-9-11-24(12-10-23)18(25)20(15-26-4)5-7-21-8-6-20/h14,21H,5-13,15H2,1-4H3.
What are the key properties of [4-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-[4-(methoxymethyl)piperidin-4-yl]methanone?
[4-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-[4-(methoxymethyl)piperidin-4-yl]methanone has a molecular weight of 394.59 g/mol, XLogP of 2.10, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-[4-(methoxymethyl)piperidin-4-yl]methanone is sourced from PubChem (CID 120644279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).