2-[(3S)-3-phenylpiperidin-1-yl]-N-(2-pyridin-2-ylsulfanylethyl)acetamide

C20H25N3OS — CID 97208277

IUPAC2-[(3S)-3-phenylpiperidin-1-yl]-N-(2-pyridin-2-ylsulfanylethyl)acetamide
SMILESO=C(CN1CCC[C@@H](c2ccccc2)C1)NCCSc1ccccn1
InChIInChI=1S/C20H25N3OS/c24-19(21-12-14-25-20-10-4-5-11-22-20)16-23-13-6-9-18(15-23)17-7-2-1-3-8-17/h1-5,7-8,10-11,18H,6,9,12-16H2,(H,21,24)/t18-/m1/s1
InChIKeyIPSQRPGKZARQIR-GOSISDBHSA-N
MW355.51 g/mol
LogP3.17
Rot. Bonds7

About 2-[(3S)-3-phenylpiperidin-1-yl]-N-(2-pyridin-2-ylsulfanylethyl)acetamide

2-[(3S)-3-phenylpiperidin-1-yl]-N-(2-pyridin-2-ylsulfanylethyl)acetamide (PubChem CID 97208277) has the molecular formula C20H25N3OS and a molecular weight of 355.51 g/mol. Its IUPAC name is 2-[(3S)-3-phenylpiperidin-1-yl]-N-(2-pyridin-2-ylsulfanylethyl)acetamide.

Molecular Properties

Compound Name2-[(3S)-3-phenylpiperidin-1-yl]-N-(2-pyridin-2-ylsulfanylethyl)acetamide
PubChem CID97208277
Molecular FormulaC20H25N3OS
Molecular Weight355.51 g/mol
Exact Mass355.17
IUPAC Name2-[(3S)-3-phenylpiperidin-1-yl]-N-(2-pyridin-2-ylsulfanylethyl)acetamide
SMILESO=C(CN1CCC[C@@H](c2ccccc2)C1)NCCSc1ccccn1
InChIInChI=1S/C20H25N3OS/c24-19(21-12-14-25-20-10-4-5-11-22-20)16-23-13-6-9-18(15-23)17-7-2-1-3-8-17/h1-5,7-8,10-11,18H,6,9,12-16H2,(H,21,24)/t18-/m1/s1
InChIKeyIPSQRPGKZARQIR-GOSISDBHSA-N
XLogP3.17
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.51
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(1H-imidazol-5-yl)ethyl]-2-[(3R)-3-phenylpiperidin-1-yl]acetamide
CID 97208705
N-(2-hydroxyethyl)-2-(3-phenylpyrrolidin-1-yl)acetamide
CID 62133590
2-pyridin-2-ylsulfanylethylcarbamic acid
CID 22357478
2-[(3R)-3-phenylpiperidin-1-yl]-N-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]acetamide
CID 97204454
N-[2-(3-phenylpiperidin-1-yl)ethyl]-2-(3,4,5-trimethylpyrazol-1-yl)acetamide
CID 77086601
N-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-2-[(3S)-3-phenylpiperidin-1-yl]acetamide
CID 97274936
N-pentyl-2-[(3S)-3-phenylpyrrolidin-1-yl]acetamide
CID 95317674
N-[2-(2-methylphenyl)ethyl]-2-[(3R)-3-phenylpyrrolidin-1-yl]acetamide
CID 95333668
2-(3-methylpiperidin-1-yl)-N-(pyridin-2-ylmethyl)acetamide
CID 108999232
N-[(3R)-1-(2-phenylethyl)piperidin-3-yl]-2-pyridin-2-ylsulfanylacetamide
CID 26403604
(2R)-1-methyl-N-(2-pyridin-2-ylsulfanylethyl)azepane-2-carboxamide
CID 97189055
N-[2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)amino]ethyl]-2-[(3R)-3-phenylpiperidin-1-yl]acetamide
CID 136861452

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-3-phenylpiperidin-1-yl]-N-(2-pyridin-2-ylsulfanylethyl)acetamide?
The IUPAC name of 2-[(3S)-3-phenylpiperidin-1-yl]-N-(2-pyridin-2-ylsulfanylethyl)acetamide (CID 97208277) is 2-[(3S)-3-phenylpiperidin-1-yl]-N-(2-pyridin-2-ylsulfanylethyl)acetamide.
What is the SMILES notation for 2-[(3S)-3-phenylpiperidin-1-yl]-N-(2-pyridin-2-ylsulfanylethyl)acetamide?
The canonical SMILES for 2-[(3S)-3-phenylpiperidin-1-yl]-N-(2-pyridin-2-ylsulfanylethyl)acetamide is O=C(CN1CCC[C@@H](c2ccccc2)C1)NCCSc1ccccn1.
What is the InChIKey of 2-[(3S)-3-phenylpiperidin-1-yl]-N-(2-pyridin-2-ylsulfanylethyl)acetamide?
The InChIKey is IPSQRPGKZARQIR-GOSISDBHSA-N. The full InChI is InChI=1S/C20H25N3OS/c24-19(21-12-14-25-20-10-4-5-11-22-20)16-23-13-6-9-18(15-23)17-7-2-1-3-8-17/h1-5,7-8,10-11,18H,6,9,12-16H2,(H,21,24)/t18-/m1/s1.
What are the key properties of 2-[(3S)-3-phenylpiperidin-1-yl]-N-(2-pyridin-2-ylsulfanylethyl)acetamide?
2-[(3S)-3-phenylpiperidin-1-yl]-N-(2-pyridin-2-ylsulfanylethyl)acetamide has a molecular weight of 355.51 g/mol, XLogP of 3.17, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-3-phenylpiperidin-1-yl]-N-(2-pyridin-2-ylsulfanylethyl)acetamide is sourced from PubChem (CID 97208277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).