N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-2-phenylsulfanylpropanamide

C16H23N3O2S — CID 24590893

IUPACN-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-2-phenylsulfanylpropanamide
SMILESCC(Sc1ccccc1)C(=O)NC1CCN(CC(N)=O)CC1
InChIInChI=1S/C16H23N3O2S/c1-12(22-14-5-3-2-4-6-14)16(21)18-13-7-9-19(10-8-13)11-15(17)20/h2-6,12-13H,7-11H2,1H3,(H2,17,20)(H,18,21)
InChIKeyVTVUIPJERAFZFX-UHFFFAOYSA-N
MW321.45 g/mol
LogP1.23
Rot. Bonds6

About N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-2-phenylsulfanylpropanamide

N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-2-phenylsulfanylpropanamide (PubChem CID 24590893) has the molecular formula C16H23N3O2S and a molecular weight of 321.45 g/mol. Its IUPAC name is N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-2-phenylsulfanylpropanamide.

Molecular Properties

Compound NameN-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-2-phenylsulfanylpropanamide
PubChem CID24590893
Molecular FormulaC16H23N3O2S
Molecular Weight321.45 g/mol
Exact Mass321.15
IUPAC NameN-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-2-phenylsulfanylpropanamide
SMILESCC(Sc1ccccc1)C(=O)NC1CCN(CC(N)=O)CC1
InChIInChI=1S/C16H23N3O2S/c1-12(22-14-5-3-2-4-6-14)16(21)18-13-7-9-19(10-8-13)11-15(17)20/h2-6,12-13H,7-11H2,1H3,(H2,17,20)(H,18,21)
InChIKeyVTVUIPJERAFZFX-UHFFFAOYSA-N
XLogP1.23
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.45
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-2-(4-bromophenyl)sulfanylpropanamide
CID 55832851
N-(1-benzylpyrrolidin-3-yl)-2-(4-methylphenyl)sulfanylpropanamide
CID 47008045
2-[4-(4-phenylbutan-2-ylamino)piperidin-1-yl]acetamide
CID 43746850
2-(4-aminophenyl)sulfanyl-N-cyclopropylpropanamide
CID 19317735
N-[4-(4-methylpiperidin-1-yl)butyl]-2-phenylsulfanylpropanamide
CID 86990920
[2-(cyclopropylamino)-2-oxoethyl] (2R)-2-phenylsulfanylpropanoate
CID 7806670
(2S)-N-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]-2-phenylsulfanylpropanamide
CID 881755
2-(4-acetamidophenyl)sulfanyl-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]propanamide
CID 55858867
(2S)-N-[1-(2,2-difluoroethyl)piperidin-4-yl]-2-phenylsulfanylbutanamide
CID 95621085
N-cyclopropyl-2-[4-(hydroxymethyl)phenyl]sulfanylpropanamide
CID 113371986
(2S)-2-amino-N-(1-benzylpiperidin-4-yl)propanamide
CID 770488
[(2R)-1-(cycloheptylamino)-1-oxopropan-2-yl] (2S)-2-phenylsulfanylpropanoate
CID 8979821

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-2-phenylsulfanylpropanamide?
The IUPAC name of N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-2-phenylsulfanylpropanamide (CID 24590893) is N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-2-phenylsulfanylpropanamide.
What is the SMILES notation for N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-2-phenylsulfanylpropanamide?
The canonical SMILES for N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-2-phenylsulfanylpropanamide is CC(Sc1ccccc1)C(=O)NC1CCN(CC(N)=O)CC1.
What is the InChIKey of N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-2-phenylsulfanylpropanamide?
The InChIKey is VTVUIPJERAFZFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2S/c1-12(22-14-5-3-2-4-6-14)16(21)18-13-7-9-19(10-8-13)11-15(17)20/h2-6,12-13H,7-11H2,1H3,(H2,17,20)(H,18,21).
What are the key properties of N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-2-phenylsulfanylpropanamide?
N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-2-phenylsulfanylpropanamide has a molecular weight of 321.45 g/mol, XLogP of 1.23, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-2-phenylsulfanylpropanamide is sourced from PubChem (CID 24590893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).