N-[(3R)-1-[2-[(1R)-1-phenylethyl]sulfanylacetyl]piperidin-3-yl]acetamide

C17H24N2O2S — CID 97228273

IUPACN-[(3R)-1-[2-[(1R)-1-phenylethyl]sulfanylacetyl]piperidin-3-yl]acetamide
SMILESCC(=O)N[C@@H]1CCCN(C(=O)CS[C@H](C)c2ccccc2)C1
InChIInChI=1S/C17H24N2O2S/c1-13(15-7-4-3-5-8-15)22-12-17(21)19-10-6-9-16(11-19)18-14(2)20/h3-5,7-8,13,16H,6,9-12H2,1-2H3,(H,18,20)/t13-,16-/m1/s1
InChIKeyGEPIBPIRIJTICV-CZUORRHYSA-N
MW320.46 g/mol
LogP2.61
Rot. Bonds5

About N-[(3R)-1-[2-[(1R)-1-phenylethyl]sulfanylacetyl]piperidin-3-yl]acetamide

N-[(3R)-1-[2-[(1R)-1-phenylethyl]sulfanylacetyl]piperidin-3-yl]acetamide (PubChem CID 97228273) has the molecular formula C17H24N2O2S and a molecular weight of 320.46 g/mol. Its IUPAC name is N-[(3R)-1-[2-[(1R)-1-phenylethyl]sulfanylacetyl]piperidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[(3R)-1-[2-[(1R)-1-phenylethyl]sulfanylacetyl]piperidin-3-yl]acetamide
PubChem CID97228273
Molecular FormulaC17H24N2O2S
Molecular Weight320.46 g/mol
Exact Mass320.16
IUPAC NameN-[(3R)-1-[2-[(1R)-1-phenylethyl]sulfanylacetyl]piperidin-3-yl]acetamide
SMILESCC(=O)N[C@@H]1CCCN(C(=O)CS[C@H](C)c2ccccc2)C1
InChIInChI=1S/C17H24N2O2S/c1-13(15-7-4-3-5-8-15)22-12-17(21)19-10-6-9-16(11-19)18-14(2)20/h3-5,7-8,13,16H,6,9-12H2,1-2H3,(H,18,20)/t13-,16-/m1/s1
InChIKeyGEPIBPIRIJTICV-CZUORRHYSA-N
XLogP2.61
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.46
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3S)-1-[2-[(1R)-1-phenylpropyl]sulfanylacetyl]piperidin-3-yl]acetamide
CID 97096418
N-[1-[2-(3-methylbutan-2-ylsulfanyl)acetyl]piperidin-3-yl]acetamide
CID 71926391
2-methyl-N-[1-(2-phenylacetyl)piperidin-3-yl]propanamide
CID 127187955
N-[1-[2-(methylamino)acetyl]piperidin-3-yl]acetamide
CID 60947690
2-(3-acetamidopiperidin-1-yl)-2-phenylacetic acid
CID 136550153
2-methyl-N-[(3R)-1-[(2S)-3-methylsulfanyl-2-phenylpropanoyl]piperidin-3-yl]propanamide
CID 97216590
2-(3-acetamidopiperidin-1-yl)-2-phenyl-N-propan-2-ylacetamide
CID 75461568
N-[(3R)-1-[2-[(2,5-difluorophenyl)methylsulfanyl]acetyl]piperidin-3-yl]acetamide
CID 97321462
N-[1-[2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]acetyl]piperidin-3-yl]acetamide
CID 120761183
N-[1-(3-chloropropanoyl)piperidin-3-yl]acetamide
CID 60948683
3-acetamido-N-(2-fluorophenyl)piperidine-1-carboxamide
CID 47258071
N-[1-[2-[1-(5-methylfuran-2-yl)ethylamino]acetyl]piperidin-3-yl]acetamide
CID 86789543

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-[2-[(1R)-1-phenylethyl]sulfanylacetyl]piperidin-3-yl]acetamide?
The IUPAC name of N-[(3R)-1-[2-[(1R)-1-phenylethyl]sulfanylacetyl]piperidin-3-yl]acetamide (CID 97228273) is N-[(3R)-1-[2-[(1R)-1-phenylethyl]sulfanylacetyl]piperidin-3-yl]acetamide.
What is the SMILES notation for N-[(3R)-1-[2-[(1R)-1-phenylethyl]sulfanylacetyl]piperidin-3-yl]acetamide?
The canonical SMILES for N-[(3R)-1-[2-[(1R)-1-phenylethyl]sulfanylacetyl]piperidin-3-yl]acetamide is CC(=O)N[C@@H]1CCCN(C(=O)CS[C@H](C)c2ccccc2)C1.
What is the InChIKey of N-[(3R)-1-[2-[(1R)-1-phenylethyl]sulfanylacetyl]piperidin-3-yl]acetamide?
The InChIKey is GEPIBPIRIJTICV-CZUORRHYSA-N. The full InChI is InChI=1S/C17H24N2O2S/c1-13(15-7-4-3-5-8-15)22-12-17(21)19-10-6-9-16(11-19)18-14(2)20/h3-5,7-8,13,16H,6,9-12H2,1-2H3,(H,18,20)/t13-,16-/m1/s1.
What are the key properties of N-[(3R)-1-[2-[(1R)-1-phenylethyl]sulfanylacetyl]piperidin-3-yl]acetamide?
N-[(3R)-1-[2-[(1R)-1-phenylethyl]sulfanylacetyl]piperidin-3-yl]acetamide has a molecular weight of 320.46 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-[2-[(1R)-1-phenylethyl]sulfanylacetyl]piperidin-3-yl]acetamide is sourced from PubChem (CID 97228273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).