4-[2-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,3-thiazol-4-yl]benzamide

C23H23N3O3S — CID 25117746

IUPAC4-[2-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,3-thiazol-4-yl]benzamide
SMILESNC(=O)c1ccc(-c2csc([C@H]3CCCCN3C(=O)COc3ccccc3)n2)cc1
InChIInChI=1S/C23H23N3O3S/c24-22(28)17-11-9-16(10-12-17)19-15-30-23(25-19)20-8-4-5-13-26(20)21(27)14-29-18-6-2-1-3-7-18/h1-3,6-7,9-12,15,20H,4-5,8,13-14H2,(H2,24,28)/t20-/m1/s1
InChIKeyBOAJFRPORILFEL-HXUWFJFHSA-N
MW421.52 g/mol
LogP4.04
Rot. Bonds6

About 4-[2-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,3-thiazol-4-yl]benzamide

4-[2-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,3-thiazol-4-yl]benzamide (PubChem CID 25117746) has the molecular formula C23H23N3O3S and a molecular weight of 421.52 g/mol. Its IUPAC name is 4-[2-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,3-thiazol-4-yl]benzamide.

Molecular Properties

Compound Name4-[2-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,3-thiazol-4-yl]benzamide
PubChem CID25117746
Molecular FormulaC23H23N3O3S
Molecular Weight421.52 g/mol
Exact Mass421.15
IUPAC Name4-[2-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,3-thiazol-4-yl]benzamide
SMILESNC(=O)c1ccc(-c2csc([C@H]3CCCCN3C(=O)COc3ccccc3)n2)cc1
InChIInChI=1S/C23H23N3O3S/c24-22(28)17-11-9-16(10-12-17)19-15-30-23(25-19)20-8-4-5-13-26(20)21(27)14-29-18-6-2-1-3-7-18/h1-3,6-7,9-12,15,20H,4-5,8,13-14H2,(H2,24,28)/t20-/m1/s1
InChIKeyBOAJFRPORILFEL-HXUWFJFHSA-N
XLogP4.04
TPSA85.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.52
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[2-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,3-thiazol-4-yl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-ethoxyphenyl)-4-(2-methyl-1,3-thiazol-4-yl)benzamide
CID 892238
N-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]furan-2-carboxamide
CID 6468644
2-butoxy-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]benzamide
CID 23613053
3-Methoxy-N-({2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-YL}methyl)-N-(2-methylpropyl)benzamide
CID 46009273
(Z)-4-[4-(furan-2-carbonyl)piperazin-1-yl]-3-hydroxy-2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]but-2-enenitrile
CID 135415418
N-benzyl-2-[2-[4-(2-morpholin-4-ylethoxy)phenyl]-1,3-thiazol-4-yl]acetamide
CID 54752786
N-[(4-fluorophenyl)methyl]-2-[2-[4-(2-morpholin-4-ylethoxy)phenyl]-1,3-thiazol-4-yl]acetamide
CID 54752787
N-[(4-methylphenyl)methyl]-2-[2-[4-(2-morpholin-4-ylethoxy)phenyl]-1,3-thiazol-4-yl]acetamide
CID 56640962
N-(4-(4-(2-Methoxyphenyl)piperazin-1-yl)butyl)-4-(thiazol-4-yl)benzamide
CID 91885413
(4-{[[(2-{4-[(Octylamino)carbonyl]phenyl}-1,3-thiazol-4-yl)methyl](3-phenylpropanoyl)amino]methyl}phenoxy)acetic acid
CID 11342691
3-{4-[(R)-1-(2-phenoxy-acetyl)-piperidin-2-yl]-thiazol-2-yl}-benzoic acid
CID 25117747
4-[4-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,3-thiazol-2-yl]benzoic acid
CID 25117748

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,3-thiazol-4-yl]benzamide?
The IUPAC name of 4-[2-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,3-thiazol-4-yl]benzamide (CID 25117746) is 4-[2-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,3-thiazol-4-yl]benzamide.
What is the SMILES notation for 4-[2-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,3-thiazol-4-yl]benzamide?
The canonical SMILES for 4-[2-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,3-thiazol-4-yl]benzamide is NC(=O)c1ccc(-c2csc([C@H]3CCCCN3C(=O)COc3ccccc3)n2)cc1.
What is the InChIKey of 4-[2-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,3-thiazol-4-yl]benzamide?
The InChIKey is BOAJFRPORILFEL-HXUWFJFHSA-N. The full InChI is InChI=1S/C23H23N3O3S/c24-22(28)17-11-9-16(10-12-17)19-15-30-23(25-19)20-8-4-5-13-26(20)21(27)14-29-18-6-2-1-3-7-18/h1-3,6-7,9-12,15,20H,4-5,8,13-14H2,(H2,24,28)/t20-/m1/s1.
What are the key properties of 4-[2-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,3-thiazol-4-yl]benzamide?
4-[2-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,3-thiazol-4-yl]benzamide has a molecular weight of 421.52 g/mol, XLogP of 4.04, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,3-thiazol-4-yl]benzamide is sourced from PubChem (CID 25117746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).