(3R)-1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-N-phenylpiperidine-3-carboxamide

C17H20N4O2S — CID 25490937

IUPAC(3R)-1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-N-phenylpiperidine-3-carboxamide
SMILESO=C(CN1CCC[C@@H](C(=O)Nc2ccccc2)C1)Nc1nccs1
InChIInChI=1S/C17H20N4O2S/c22-15(20-17-18-8-10-24-17)12-21-9-4-5-13(11-21)16(23)19-14-6-2-1-3-7-14/h1-3,6-8,10,13H,4-5,9,11-12H2,(H,19,23)(H,18,20,22)/t13-/m1/s1
InChIKeyIJXUSZLSWLJXML-CYBMUJFWSA-N
MW344.44 g/mol
LogP2.43
Rot. Bonds5

About (3R)-1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-N-phenylpiperidine-3-carboxamide

(3R)-1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-N-phenylpiperidine-3-carboxamide (PubChem CID 25490937) has the molecular formula C17H20N4O2S and a molecular weight of 344.44 g/mol. Its IUPAC name is (3R)-1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-N-phenylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-N-phenylpiperidine-3-carboxamide
PubChem CID25490937
Molecular FormulaC17H20N4O2S
Molecular Weight344.44 g/mol
Exact Mass344.13
IUPAC Name(3R)-1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-N-phenylpiperidine-3-carboxamide
SMILESO=C(CN1CCC[C@@H](C(=O)Nc2ccccc2)C1)Nc1nccs1
InChIInChI=1S/C17H20N4O2S/c22-15(20-17-18-8-10-24-17)12-21-9-4-5-13(11-21)16(23)19-14-6-2-1-3-7-14/h1-3,6-8,10,13H,4-5,9,11-12H2,(H,19,23)(H,18,20,22)/t13-/m1/s1
InChIKeyIJXUSZLSWLJXML-CYBMUJFWSA-N
XLogP2.43
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-anilino-2-oxoethyl)-N-phenylpiperidine-3-carboxamide
CID 17496230
1-benzyl-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 60548570
1-(2-anilino-2-oxoethyl)-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
CID 118634244
2-[(3R)-3-pyridin-4-ylpiperidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 125143187
1-(benzenesulfonyl)-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 16828987
1-[2-(2-methoxyanilino)-2-oxoethyl]-N-phenylpiperidine-3-carboxamide
CID 86913235
2-[(3S)-3-hydroxypyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 78962803
2-[(3S)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 97212090
2-[(3R)-3-[(2-fluorophenoxy)methyl]piperidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 92612861
(3S)-1-[2-(2,5-dimethyl-1H-pyrrol-3-yl)-2-oxoethyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 95276205
2-[(4R)-4-[benzylsulfonyl(methyl)amino]azepan-1-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 92634989
1-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-pyridin-3-ylpiperidine-3-carboxamide
CID 84564183

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-N-phenylpiperidine-3-carboxamide?
The IUPAC name of (3R)-1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-N-phenylpiperidine-3-carboxamide (CID 25490937) is (3R)-1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-N-phenylpiperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-N-phenylpiperidine-3-carboxamide?
The canonical SMILES for (3R)-1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-N-phenylpiperidine-3-carboxamide is O=C(CN1CCC[C@@H](C(=O)Nc2ccccc2)C1)Nc1nccs1.
What is the InChIKey of (3R)-1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-N-phenylpiperidine-3-carboxamide?
The InChIKey is IJXUSZLSWLJXML-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H20N4O2S/c22-15(20-17-18-8-10-24-17)12-21-9-4-5-13(11-21)16(23)19-14-6-2-1-3-7-14/h1-3,6-8,10,13H,4-5,9,11-12H2,(H,19,23)(H,18,20,22)/t13-/m1/s1.
What are the key properties of (3R)-1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-N-phenylpiperidine-3-carboxamide?
(3R)-1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-N-phenylpiperidine-3-carboxamide has a molecular weight of 344.44 g/mol, XLogP of 2.43, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-N-phenylpiperidine-3-carboxamide is sourced from PubChem (CID 25490937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).