4-tert-butyl-N-[1-(1,3-thiazol-5-ylmethyl)piperidin-4-yl]benzamide

C20H27N3OS — CID 166339786

IUPAC4-tert-butyl-N-[1-(1,3-thiazol-5-ylmethyl)piperidin-4-yl]benzamide
SMILESCC(C)(C)c1ccc(C(=O)NC2CCN(Cc3cncs3)CC2)cc1
InChIInChI=1S/C20H27N3OS/c1-20(2,3)16-6-4-15(5-7-16)19(24)22-17-8-10-23(11-9-17)13-18-12-21-14-25-18/h4-7,12,14,17H,8-11,13H2,1-3H3,(H,22,24)
InChIKeyWWBFHXFNUCUIEK-UHFFFAOYSA-N
MW357.52 g/mol
LogP3.84
Rot. Bonds4

About 4-tert-butyl-N-[1-(1,3-thiazol-5-ylmethyl)piperidin-4-yl]benzamide

4-tert-butyl-N-[1-(1,3-thiazol-5-ylmethyl)piperidin-4-yl]benzamide (PubChem CID 166339786) has the molecular formula C20H27N3OS and a molecular weight of 357.52 g/mol. Its IUPAC name is 4-tert-butyl-N-[1-(1,3-thiazol-5-ylmethyl)piperidin-4-yl]benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-[1-(1,3-thiazol-5-ylmethyl)piperidin-4-yl]benzamide
PubChem CID166339786
Molecular FormulaC20H27N3OS
Molecular Weight357.52 g/mol
Exact Mass357.19
IUPAC Name4-tert-butyl-N-[1-(1,3-thiazol-5-ylmethyl)piperidin-4-yl]benzamide
SMILESCC(C)(C)c1ccc(C(=O)NC2CCN(Cc3cncs3)CC2)cc1
InChIInChI=1S/C20H27N3OS/c1-20(2,3)16-6-4-15(5-7-16)19(24)22-17-8-10-23(11-9-17)13-18-12-21-14-25-18/h4-7,12,14,17H,8-11,13H2,1-3H3,(H,22,24)
InChIKeyWWBFHXFNUCUIEK-UHFFFAOYSA-N
XLogP3.84
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.52
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-fluoro-N-[(3S)-1-(1,3-thiazol-5-ylmethyl)pyrrolidin-3-yl]benzamide
CID 166339791
4-tert-butyl-N-[(3R)-1-[(3-methylimidazol-4-yl)methyl]pyrrolidin-3-yl]benzamide
CID 167817944
N-(oxan-4-yl)-2-[1-(1,3-thiazol-5-ylmethyl)piperidin-4-yl]acetamide
CID 165431469
N-[1-(1,3-thiazol-5-ylmethyl)piperidin-4-yl]cyclopropanesulfonamide
CID 163344051
1-(1,3-thiazol-5-ylmethyl)azepan-4-ol
CID 126987254
4-tert-butyl-N-[1-(pyrazine-2-carbonyl)piperidin-4-yl]benzamide
CID 108554177
4-tert-butyl-N-[1-(2,2-dichloroacetyl)piperidin-4-yl]benzamide
CID 108561404
N,N-dimethyl-1-(1,3-thiazol-5-ylmethyl)piperidin-4-amine
CID 141415838
4-tert-butyl-N-[3-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]amino]-3-oxopropyl]benzamide
CID 24504193
4-tert-butyl-N-(4-oxocyclohexyl)benzamide
CID 43652861
N-(1-ethylpiperidin-4-yl)pyridine-4-carboxamide
CID 17249927
5-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-1,3-thiazole
CID 163343642

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[1-(1,3-thiazol-5-ylmethyl)piperidin-4-yl]benzamide?
The IUPAC name of 4-tert-butyl-N-[1-(1,3-thiazol-5-ylmethyl)piperidin-4-yl]benzamide (CID 166339786) is 4-tert-butyl-N-[1-(1,3-thiazol-5-ylmethyl)piperidin-4-yl]benzamide.
What is the SMILES notation for 4-tert-butyl-N-[1-(1,3-thiazol-5-ylmethyl)piperidin-4-yl]benzamide?
The canonical SMILES for 4-tert-butyl-N-[1-(1,3-thiazol-5-ylmethyl)piperidin-4-yl]benzamide is CC(C)(C)c1ccc(C(=O)NC2CCN(Cc3cncs3)CC2)cc1.
What is the InChIKey of 4-tert-butyl-N-[1-(1,3-thiazol-5-ylmethyl)piperidin-4-yl]benzamide?
The InChIKey is WWBFHXFNUCUIEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3OS/c1-20(2,3)16-6-4-15(5-7-16)19(24)22-17-8-10-23(11-9-17)13-18-12-21-14-25-18/h4-7,12,14,17H,8-11,13H2,1-3H3,(H,22,24).
What are the key properties of 4-tert-butyl-N-[1-(1,3-thiazol-5-ylmethyl)piperidin-4-yl]benzamide?
4-tert-butyl-N-[1-(1,3-thiazol-5-ylmethyl)piperidin-4-yl]benzamide has a molecular weight of 357.52 g/mol, XLogP of 3.84, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[1-(1,3-thiazol-5-ylmethyl)piperidin-4-yl]benzamide is sourced from PubChem (CID 166339786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).