N-[3-[(3S)-1-(3-fluorophenyl)-2-oxopiperidin-3-yl]sulfanylpropyl]acetamide

C16H21FN2O2S — CID 97099277

IUPACN-[3-[(3S)-1-(3-fluorophenyl)-2-oxopiperidin-3-yl]sulfanylpropyl]acetamide
SMILESCC(=O)NCCCS[C@H]1CCCN(c2cccc(F)c2)C1=O
InChIInChI=1S/C16H21FN2O2S/c1-12(20)18-8-4-10-22-15-7-3-9-19(16(15)21)14-6-2-5-13(17)11-14/h2,5-6,11,15H,3-4,7-10H2,1H3,(H,18,20)/t15-/m0/s1
InChIKeyQMGMKQYCCLKTDO-HNNXBMFYSA-N
MW324.42 g/mol
LogP2.58
Rot. Bonds6

About N-[3-[(3S)-1-(3-fluorophenyl)-2-oxopiperidin-3-yl]sulfanylpropyl]acetamide

N-[3-[(3S)-1-(3-fluorophenyl)-2-oxopiperidin-3-yl]sulfanylpropyl]acetamide (PubChem CID 97099277) has the molecular formula C16H21FN2O2S and a molecular weight of 324.42 g/mol. Its IUPAC name is N-[3-[(3S)-1-(3-fluorophenyl)-2-oxopiperidin-3-yl]sulfanylpropyl]acetamide.

Molecular Properties

Compound NameN-[3-[(3S)-1-(3-fluorophenyl)-2-oxopiperidin-3-yl]sulfanylpropyl]acetamide
PubChem CID97099277
Molecular FormulaC16H21FN2O2S
Molecular Weight324.42 g/mol
Exact Mass324.13
IUPAC NameN-[3-[(3S)-1-(3-fluorophenyl)-2-oxopiperidin-3-yl]sulfanylpropyl]acetamide
SMILESCC(=O)NCCCS[C@H]1CCCN(c2cccc(F)c2)C1=O
InChIInChI=1S/C16H21FN2O2S/c1-12(20)18-8-4-10-22-15-7-3-9-19(16(15)21)14-6-2-5-13(17)11-14/h2,5-6,11,15H,3-4,7-10H2,1H3,(H,18,20)/t15-/m0/s1
InChIKeyQMGMKQYCCLKTDO-HNNXBMFYSA-N
XLogP2.58
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[1-(3-fluorophenyl)-2-oxopiperidin-3-yl]sulfanylpropyl]acetamide
CID 71931032
N-[2-[[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]carbamoylamino]ethyl]acetamide
CID 18564403
(3S)-1-(3-fluorophenyl)-3-(1,3,4-thiadiazol-2-ylsulfanyl)piperidin-2-one
CID 96550433
1-[(3S)-1-(3-fluorophenyl)-2-oxopiperidin-3-yl]-3-(1H-pyrazol-5-ylmethyl)urea
CID 95347777
1-(3-fluorophenyl)-N-(3-morpholin-4-ylpropyl)-2-oxopyrrolidine-3-carboxamide
CID 46062378
1-[(3R)-1-(3-fluorophenyl)-2-oxopiperidin-3-yl]-3-(pyridin-4-ylmethyl)urea
CID 95629087
1-[(3S)-1-(3-fluorophenyl)-2-oxopiperidin-3-yl]-3-[(2S)-1-methoxypropan-2-yl]urea
CID 95353670
1-(3-fluorophenyl)-3-[[(1S)-1-phenylethyl]amino]piperidin-2-one
CID 138042379
1-(3-fluorophenyl)-3-[4-(1-hydroxyethyl)piperidin-1-yl]piperidin-2-one
CID 111380901
1-(3-fluorophenyl)-3-[3-(1-hydroxyethyl)pyrrolidin-1-yl]piperidin-2-one
CID 110020111
(2S)-2-(3-fluorophenyl)-N-propylpyrrolidine-1-carboxamide
CID 95053549
(3S)-3-acetyl-1-(3-ethylphenyl)piperidin-2-one
CID 125457469

Frequently Asked Questions

What is the IUPAC name of N-[3-[(3S)-1-(3-fluorophenyl)-2-oxopiperidin-3-yl]sulfanylpropyl]acetamide?
The IUPAC name of N-[3-[(3S)-1-(3-fluorophenyl)-2-oxopiperidin-3-yl]sulfanylpropyl]acetamide (CID 97099277) is N-[3-[(3S)-1-(3-fluorophenyl)-2-oxopiperidin-3-yl]sulfanylpropyl]acetamide.
What is the SMILES notation for N-[3-[(3S)-1-(3-fluorophenyl)-2-oxopiperidin-3-yl]sulfanylpropyl]acetamide?
The canonical SMILES for N-[3-[(3S)-1-(3-fluorophenyl)-2-oxopiperidin-3-yl]sulfanylpropyl]acetamide is CC(=O)NCCCS[C@H]1CCCN(c2cccc(F)c2)C1=O.
What is the InChIKey of N-[3-[(3S)-1-(3-fluorophenyl)-2-oxopiperidin-3-yl]sulfanylpropyl]acetamide?
The InChIKey is QMGMKQYCCLKTDO-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H21FN2O2S/c1-12(20)18-8-4-10-22-15-7-3-9-19(16(15)21)14-6-2-5-13(17)11-14/h2,5-6,11,15H,3-4,7-10H2,1H3,(H,18,20)/t15-/m0/s1.
What are the key properties of N-[3-[(3S)-1-(3-fluorophenyl)-2-oxopiperidin-3-yl]sulfanylpropyl]acetamide?
N-[3-[(3S)-1-(3-fluorophenyl)-2-oxopiperidin-3-yl]sulfanylpropyl]acetamide has a molecular weight of 324.42 g/mol, XLogP of 2.58, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(3S)-1-(3-fluorophenyl)-2-oxopiperidin-3-yl]sulfanylpropyl]acetamide is sourced from PubChem (CID 97099277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).