N-[(3R)-1-(2-phenylethyl)piperidin-3-yl]-2-pyridin-2-ylsulfanylacetamide

C20H25N3OS — CID 26403604

IUPACN-[(3R)-1-(2-phenylethyl)piperidin-3-yl]-2-pyridin-2-ylsulfanylacetamide
SMILESO=C(CSc1ccccn1)N[C@@H]1CCCN(CCc2ccccc2)C1
InChIInChI=1S/C20H25N3OS/c24-19(16-25-20-10-4-5-12-21-20)22-18-9-6-13-23(15-18)14-11-17-7-2-1-3-8-17/h1-5,7-8,10,12,18H,6,9,11,13-16H2,(H,22,24)/t18-/m1/s1
InChIKeyNWFIZSIOYOWZEF-GOSISDBHSA-N
MW355.51 g/mol
LogP3.00
Rot. Bonds7

About N-[(3R)-1-(2-phenylethyl)piperidin-3-yl]-2-pyridin-2-ylsulfanylacetamide

N-[(3R)-1-(2-phenylethyl)piperidin-3-yl]-2-pyridin-2-ylsulfanylacetamide (PubChem CID 26403604) has the molecular formula C20H25N3OS and a molecular weight of 355.51 g/mol. Its IUPAC name is N-[(3R)-1-(2-phenylethyl)piperidin-3-yl]-2-pyridin-2-ylsulfanylacetamide.

Molecular Properties

Compound NameN-[(3R)-1-(2-phenylethyl)piperidin-3-yl]-2-pyridin-2-ylsulfanylacetamide
PubChem CID26403604
Molecular FormulaC20H25N3OS
Molecular Weight355.51 g/mol
Exact Mass355.17
IUPAC NameN-[(3R)-1-(2-phenylethyl)piperidin-3-yl]-2-pyridin-2-ylsulfanylacetamide
SMILESO=C(CSc1ccccn1)N[C@@H]1CCCN(CCc2ccccc2)C1
InChIInChI=1S/C20H25N3OS/c24-19(16-25-20-10-4-5-12-21-20)22-18-9-6-13-23(15-18)14-11-17-7-2-1-3-8-17/h1-5,7-8,10,12,18H,6,9,11,13-16H2,(H,22,24)/t18-/m1/s1
InChIKeyNWFIZSIOYOWZEF-GOSISDBHSA-N
XLogP3.00
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 ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(2-phenylethyl)piperidin-3-yl]-3-pyridin-2-ylpropanamide
CID 45227413
N-methyl-N-[1-(2-phenylethyl)piperidin-3-yl]-2-pyridin-2-ylsulfanylacetamide
CID 45239167
N-[(3S)-1-(2-phenylethyl)piperidin-3-yl]pyridine-4-carboxamide
CID 25460236
N-[(3S)-1-(2-phenylethyl)piperidin-3-yl]-3-(1,2,4-triazol-1-yl)propanamide
CID 25378372
3-phenoxy-N-[1-(2-phenylethyl)piperidin-3-yl]propanamide
CID 56853055
N-[1-(3-phenylpropyl)piperidin-3-yl]-3-pyrazol-1-ylpropanamide
CID 45198986
2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-[(3S)-1-(3-phenylpropyl)piperidin-3-yl]acetamide
CID 25491989
N-[(3S)-1-(2-phenylethyl)piperidin-3-yl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
CID 26392211
2-(2-oxopyrrolidin-1-yl)-N-[(3R)-1-(2-phenylethyl)piperidin-3-yl]acetamide
CID 25366353
N-[1-(2-phenylethyl)piperidin-3-yl]-3-(1H-pyrazol-4-yl)propanamide
CID 45241321
N-(1-benzylpiperidin-3-yl)-3-phenylpropanamide
CID 42958724
3-(furan-2-yl)-N-[1-(2-phenylethyl)piperidin-3-yl]propanamide
CID 45244355

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-(2-phenylethyl)piperidin-3-yl]-2-pyridin-2-ylsulfanylacetamide?
The IUPAC name of N-[(3R)-1-(2-phenylethyl)piperidin-3-yl]-2-pyridin-2-ylsulfanylacetamide (CID 26403604) is N-[(3R)-1-(2-phenylethyl)piperidin-3-yl]-2-pyridin-2-ylsulfanylacetamide.
What is the SMILES notation for N-[(3R)-1-(2-phenylethyl)piperidin-3-yl]-2-pyridin-2-ylsulfanylacetamide?
The canonical SMILES for N-[(3R)-1-(2-phenylethyl)piperidin-3-yl]-2-pyridin-2-ylsulfanylacetamide is O=C(CSc1ccccn1)N[C@@H]1CCCN(CCc2ccccc2)C1.
What is the InChIKey of N-[(3R)-1-(2-phenylethyl)piperidin-3-yl]-2-pyridin-2-ylsulfanylacetamide?
The InChIKey is NWFIZSIOYOWZEF-GOSISDBHSA-N. The full InChI is InChI=1S/C20H25N3OS/c24-19(16-25-20-10-4-5-12-21-20)22-18-9-6-13-23(15-18)14-11-17-7-2-1-3-8-17/h1-5,7-8,10,12,18H,6,9,11,13-16H2,(H,22,24)/t18-/m1/s1.
What are the key properties of N-[(3R)-1-(2-phenylethyl)piperidin-3-yl]-2-pyridin-2-ylsulfanylacetamide?
N-[(3R)-1-(2-phenylethyl)piperidin-3-yl]-2-pyridin-2-ylsulfanylacetamide has a molecular weight of 355.51 g/mol, XLogP of 3.00, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-(2-phenylethyl)piperidin-3-yl]-2-pyridin-2-ylsulfanylacetamide is sourced from PubChem (CID 26403604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).