N-[(3R)-1-[2-[(2,5-difluorophenyl)methylsulfanyl]acetyl]piperidin-3-yl]acetamide

C16H20F2N2O2S — CID 97321462

IUPACN-[(3R)-1-[2-[(2,5-difluorophenyl)methylsulfanyl]acetyl]piperidin-3-yl]acetamide
SMILESCC(=O)N[C@@H]1CCCN(C(=O)CSCc2cc(F)ccc2F)C1
InChIInChI=1S/C16H20F2N2O2S/c1-11(21)19-14-3-2-6-20(8-14)16(22)10-23-9-12-7-13(17)4-5-15(12)18/h4-5,7,14H,2-3,6,8-10H2,1H3,(H,19,21)/t14-/m1/s1
InChIKeyJSIZWNASOQNTFM-CQSZACIVSA-N
MW342.41 g/mol
LogP2.33
Rot. Bonds5

About N-[(3R)-1-[2-[(2,5-difluorophenyl)methylsulfanyl]acetyl]piperidin-3-yl]acetamide

N-[(3R)-1-[2-[(2,5-difluorophenyl)methylsulfanyl]acetyl]piperidin-3-yl]acetamide (PubChem CID 97321462) has the molecular formula C16H20F2N2O2S and a molecular weight of 342.41 g/mol. Its IUPAC name is N-[(3R)-1-[2-[(2,5-difluorophenyl)methylsulfanyl]acetyl]piperidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[(3R)-1-[2-[(2,5-difluorophenyl)methylsulfanyl]acetyl]piperidin-3-yl]acetamide
PubChem CID97321462
Molecular FormulaC16H20F2N2O2S
Molecular Weight342.41 g/mol
Exact Mass342.12
IUPAC NameN-[(3R)-1-[2-[(2,5-difluorophenyl)methylsulfanyl]acetyl]piperidin-3-yl]acetamide
SMILESCC(=O)N[C@@H]1CCCN(C(=O)CSCc2cc(F)ccc2F)C1
InChIInChI=1S/C16H20F2N2O2S/c1-11(21)19-14-3-2-6-20(8-14)16(22)10-23-9-12-7-13(17)4-5-15(12)18/h4-5,7,14H,2-3,6,8-10H2,1H3,(H,19,21)/t14-/m1/s1
InChIKeyJSIZWNASOQNTFM-CQSZACIVSA-N
XLogP2.33
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.41
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,5-difluorophenyl)-1-[3-(methylamino)piperidin-1-yl]ethanone;hydrochloride
CID 119490122
N-[1-(3,4-difluorobenzoyl)piperidin-3-yl]acetamide
CID 47250997
1-[(3R)-3-[(1S)-1-aminoethyl]piperidin-1-yl]-2-(2,5-difluorophenyl)ethanone
CID 124691260
N-[(3R)-1-[2-[(3R)-3-(4-fluorophenyl)pyrrolidin-1-yl]acetyl]piperidin-3-yl]acetamide
CID 97098448
(3S)-3-acetamido-N-(3,4-difluorophenyl)piperidine-1-carboxamide
CID 96559490
N-[(3R)-1-[2-[(1R)-1-phenylethyl]sulfanylacetyl]piperidin-3-yl]acetamide
CID 97228273
1-[(3R)-3-aminopiperidin-1-yl]-2-(2,5-difluorophenyl)ethanone
CID 176515261
N-[1-(3-amino-2,5-difluorobenzoyl)piperidin-3-yl]acetamide
CID 107120711
N-[1-(5-amino-2,4-difluorobenzoyl)piperidin-3-yl]acetamide
CID 61108163
1-[4-[(2,5-difluorophenyl)methylamino]piperidin-1-yl]ethanone
CID 43745932
(3S)-1-[2-(2,5-difluorophenyl)acetyl]piperidine-3-carboxylic acid
CID 98024202
1-[(3S)-3-(4-fluoroanilino)piperidin-1-yl]-2-methylsulfanylethanone
CID 42415603

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-[2-[(2,5-difluorophenyl)methylsulfanyl]acetyl]piperidin-3-yl]acetamide?
The IUPAC name of N-[(3R)-1-[2-[(2,5-difluorophenyl)methylsulfanyl]acetyl]piperidin-3-yl]acetamide (CID 97321462) is N-[(3R)-1-[2-[(2,5-difluorophenyl)methylsulfanyl]acetyl]piperidin-3-yl]acetamide.
What is the SMILES notation for N-[(3R)-1-[2-[(2,5-difluorophenyl)methylsulfanyl]acetyl]piperidin-3-yl]acetamide?
The canonical SMILES for N-[(3R)-1-[2-[(2,5-difluorophenyl)methylsulfanyl]acetyl]piperidin-3-yl]acetamide is CC(=O)N[C@@H]1CCCN(C(=O)CSCc2cc(F)ccc2F)C1.
What is the InChIKey of N-[(3R)-1-[2-[(2,5-difluorophenyl)methylsulfanyl]acetyl]piperidin-3-yl]acetamide?
The InChIKey is JSIZWNASOQNTFM-CQSZACIVSA-N. The full InChI is InChI=1S/C16H20F2N2O2S/c1-11(21)19-14-3-2-6-20(8-14)16(22)10-23-9-12-7-13(17)4-5-15(12)18/h4-5,7,14H,2-3,6,8-10H2,1H3,(H,19,21)/t14-/m1/s1.
What are the key properties of N-[(3R)-1-[2-[(2,5-difluorophenyl)methylsulfanyl]acetyl]piperidin-3-yl]acetamide?
N-[(3R)-1-[2-[(2,5-difluorophenyl)methylsulfanyl]acetyl]piperidin-3-yl]acetamide has a molecular weight of 342.41 g/mol, XLogP of 2.33, 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-[(2,5-difluorophenyl)methylsulfanyl]acetyl]piperidin-3-yl]acetamide is sourced from PubChem (CID 97321462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).