N-[1-(5-propan-2-yl-1,3-thiazol-2-yl)piperidin-4-yl]benzamide

C18H23N3OS — CID 75450344

IUPACN-[1-(5-propan-2-yl-1,3-thiazol-2-yl)piperidin-4-yl]benzamide
SMILESCC(C)c1cnc(N2CCC(NC(=O)c3ccccc3)CC2)s1
InChIInChI=1S/C18H23N3OS/c1-13(2)16-12-19-18(23-16)21-10-8-15(9-11-21)20-17(22)14-6-4-3-5-7-14/h3-7,12-13,15H,8-11H2,1-2H3,(H,20,22)
InChIKeyJMMURJBEFTUOMT-UHFFFAOYSA-N
MW329.47 g/mol
LogP3.67
Rot. Bonds4

About N-[1-(5-propan-2-yl-1,3-thiazol-2-yl)piperidin-4-yl]benzamide

N-[1-(5-propan-2-yl-1,3-thiazol-2-yl)piperidin-4-yl]benzamide (PubChem CID 75450344) has the molecular formula C18H23N3OS and a molecular weight of 329.47 g/mol. Its IUPAC name is N-[1-(5-propan-2-yl-1,3-thiazol-2-yl)piperidin-4-yl]benzamide.

Molecular Properties

Compound NameN-[1-(5-propan-2-yl-1,3-thiazol-2-yl)piperidin-4-yl]benzamide
PubChem CID75450344
Molecular FormulaC18H23N3OS
Molecular Weight329.47 g/mol
Exact Mass329.16
IUPAC NameN-[1-(5-propan-2-yl-1,3-thiazol-2-yl)piperidin-4-yl]benzamide
SMILESCC(C)c1cnc(N2CCC(NC(=O)c3ccccc3)CC2)s1
InChIInChI=1S/C18H23N3OS/c1-13(2)16-12-19-18(23-16)21-10-8-15(9-11-21)20-17(22)14-6-4-3-5-7-14/h3-7,12-13,15H,8-11H2,1-2H3,(H,20,22)
InChIKeyJMMURJBEFTUOMT-UHFFFAOYSA-N
XLogP3.67
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.47
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-quinoxalin-2-ylpiperidin-4-yl)benzamide
CID 33378138
4-phenyl-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]benzamide
CID 90597412
ethane;N-(1-methylpiperidin-4-yl)benzamide
CID 142009687
2-(4-benzamidopiperidin-1-yl)-N-butan-2-ylbenzamide
CID 46037432
4-benzamido-N-[(1R)-1-thiophen-2-ylethyl]piperidine-1-carboxamide
CID 33498882
N-(1-tert-butylpiperidin-4-yl)benzamide
CID 61036493
N-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]benzamide
CID 99697085
N-[1-(3-methyl-5-propan-2-yl-1,2-oxazole-4-carbonyl)piperidin-4-yl]benzamide
CID 18131785
N-[1-(1-methylpyrazolo[4,5-d]pyrimidin-7-yl)piperidin-4-yl]benzamide
CID 172898890
2-(4-benzamidopiperidin-1-yl)-N-[(1R)-1-phenylethyl]benzamide
CID 93290973
N-[4-(2-methylpropyl)cyclohexyl]benzamide
CID 165058594
ethyl 4-benzamidopiperidine-1-carboxylate
CID 18120666

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-propan-2-yl-1,3-thiazol-2-yl)piperidin-4-yl]benzamide?
The IUPAC name of N-[1-(5-propan-2-yl-1,3-thiazol-2-yl)piperidin-4-yl]benzamide (CID 75450344) is N-[1-(5-propan-2-yl-1,3-thiazol-2-yl)piperidin-4-yl]benzamide.
What is the SMILES notation for N-[1-(5-propan-2-yl-1,3-thiazol-2-yl)piperidin-4-yl]benzamide?
The canonical SMILES for N-[1-(5-propan-2-yl-1,3-thiazol-2-yl)piperidin-4-yl]benzamide is CC(C)c1cnc(N2CCC(NC(=O)c3ccccc3)CC2)s1.
What is the InChIKey of N-[1-(5-propan-2-yl-1,3-thiazol-2-yl)piperidin-4-yl]benzamide?
The InChIKey is JMMURJBEFTUOMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3OS/c1-13(2)16-12-19-18(23-16)21-10-8-15(9-11-21)20-17(22)14-6-4-3-5-7-14/h3-7,12-13,15H,8-11H2,1-2H3,(H,20,22).
What are the key properties of N-[1-(5-propan-2-yl-1,3-thiazol-2-yl)piperidin-4-yl]benzamide?
N-[1-(5-propan-2-yl-1,3-thiazol-2-yl)piperidin-4-yl]benzamide has a molecular weight of 329.47 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-propan-2-yl-1,3-thiazol-2-yl)piperidin-4-yl]benzamide is sourced from PubChem (CID 75450344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).