N-(2-acetylphenyl)-2-[(2S)-2-(1,3-thiazol-2-yl)piperidin-1-yl]acetamide

C18H21N3O2S — CID 124606435

IUPACN-(2-acetylphenyl)-2-[(2S)-2-(1,3-thiazol-2-yl)piperidin-1-yl]acetamide
SMILESCC(=O)c1ccccc1NC(=O)CN1CCCC[C@H]1c1nccs1
InChIInChI=1S/C18H21N3O2S/c1-13(22)14-6-2-3-7-15(14)20-17(23)12-21-10-5-4-8-16(21)18-19-9-11-24-18/h2-3,6-7,9,11,16H,4-5,8,10,12H2,1H3,(H,20,23)/t16-/m0/s1
InChIKeyIYSBIFCPIHWITI-INIZCTEOSA-N
MW343.45 g/mol
LogP3.51
Rot. Bonds5

About N-(2-acetylphenyl)-2-[(2S)-2-(1,3-thiazol-2-yl)piperidin-1-yl]acetamide

N-(2-acetylphenyl)-2-[(2S)-2-(1,3-thiazol-2-yl)piperidin-1-yl]acetamide (PubChem CID 124606435) has the molecular formula C18H21N3O2S and a molecular weight of 343.45 g/mol. Its IUPAC name is N-(2-acetylphenyl)-2-[(2S)-2-(1,3-thiazol-2-yl)piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-acetylphenyl)-2-[(2S)-2-(1,3-thiazol-2-yl)piperidin-1-yl]acetamide
PubChem CID124606435
Molecular FormulaC18H21N3O2S
Molecular Weight343.45 g/mol
Exact Mass343.14
IUPAC NameN-(2-acetylphenyl)-2-[(2S)-2-(1,3-thiazol-2-yl)piperidin-1-yl]acetamide
SMILESCC(=O)c1ccccc1NC(=O)CN1CCCC[C@H]1c1nccs1
InChIInChI=1S/C18H21N3O2S/c1-13(22)14-6-2-3-7-15(14)20-17(23)12-21-10-5-4-8-16(21)18-19-9-11-24-18/h2-3,6-7,9,11,16H,4-5,8,10,12H2,1H3,(H,20,23)/t16-/m0/s1
InChIKeyIYSBIFCPIHWITI-INIZCTEOSA-N
XLogP3.51
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.45
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-methylpyrazol-3-yl)-2-[2-(1,3-thiazol-2-yl)piperidin-1-yl]acetamide
CID 91842264
N-(2-acetylphenyl)-2-[(2R)-2-phenylpyrrolidin-1-yl]acetamide
CID 41456108
N-(2-acetylphenyl)-2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]acetamide
CID 63297555
N-cyclopentyl-2-[[2-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]acetyl]amino]benzamide
CID 9166376
N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-[2-(1,3-thiazol-2-yl)piperidin-1-yl]acetamide
CID 91836265
1-phenyl-3-[(2R)-2-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one
CID 124615998
(2S)-1-[2-(2-acetylanilino)-2-oxoethyl]-N-phenylpyrrolidine-2-carboxamide
CID 51725831
N-(2-acetylphenyl)-2-[(2R)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]acetamide
CID 9434897
2-[[2-[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]acetyl]amino]-N-cyclopentylbenzamide
CID 41228935
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[(2R)-2-(1,3-thiazol-2-yl)piperidin-1-yl]propanamide
CID 95144645
1-[2-(2-acetylanilino)-2-oxoethyl]piperidine-4-carboxylic acid;hydrochloride
CID 119906608
N-cyclopentyl-2-[[2-(2-ethylpiperidin-1-yl)acetyl]amino]benzamide
CID 46800658

Frequently Asked Questions

What is the IUPAC name of N-(2-acetylphenyl)-2-[(2S)-2-(1,3-thiazol-2-yl)piperidin-1-yl]acetamide?
The IUPAC name of N-(2-acetylphenyl)-2-[(2S)-2-(1,3-thiazol-2-yl)piperidin-1-yl]acetamide (CID 124606435) is N-(2-acetylphenyl)-2-[(2S)-2-(1,3-thiazol-2-yl)piperidin-1-yl]acetamide.
What is the SMILES notation for N-(2-acetylphenyl)-2-[(2S)-2-(1,3-thiazol-2-yl)piperidin-1-yl]acetamide?
The canonical SMILES for N-(2-acetylphenyl)-2-[(2S)-2-(1,3-thiazol-2-yl)piperidin-1-yl]acetamide is CC(=O)c1ccccc1NC(=O)CN1CCCC[C@H]1c1nccs1.
What is the InChIKey of N-(2-acetylphenyl)-2-[(2S)-2-(1,3-thiazol-2-yl)piperidin-1-yl]acetamide?
The InChIKey is IYSBIFCPIHWITI-INIZCTEOSA-N. The full InChI is InChI=1S/C18H21N3O2S/c1-13(22)14-6-2-3-7-15(14)20-17(23)12-21-10-5-4-8-16(21)18-19-9-11-24-18/h2-3,6-7,9,11,16H,4-5,8,10,12H2,1H3,(H,20,23)/t16-/m0/s1.
What are the key properties of N-(2-acetylphenyl)-2-[(2S)-2-(1,3-thiazol-2-yl)piperidin-1-yl]acetamide?
N-(2-acetylphenyl)-2-[(2S)-2-(1,3-thiazol-2-yl)piperidin-1-yl]acetamide has a molecular weight of 343.45 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetylphenyl)-2-[(2S)-2-(1,3-thiazol-2-yl)piperidin-1-yl]acetamide is sourced from PubChem (CID 124606435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).