N-(3-benzylsulfanylpropyl)-2-(2-oxopiperidin-1-yl)acetamide

C17H24N2O2S — CID 74239482

IUPACN-(3-benzylsulfanylpropyl)-2-(2-oxopiperidin-1-yl)acetamide
SMILESO=C(CN1CCCCC1=O)NCCCSCc1ccccc1
InChIInChI=1S/C17H24N2O2S/c20-16(13-19-11-5-4-9-17(19)21)18-10-6-12-22-14-15-7-2-1-3-8-15/h1-3,7-8H,4-6,9-14H2,(H,18,20)
InChIKeyLCDWERYSFXEYMK-UHFFFAOYSA-N
MW320.46 g/mol
LogP2.44
Rot. Bonds8

About N-(3-benzylsulfanylpropyl)-2-(2-oxopiperidin-1-yl)acetamide

N-(3-benzylsulfanylpropyl)-2-(2-oxopiperidin-1-yl)acetamide (PubChem CID 74239482) has the molecular formula C17H24N2O2S and a molecular weight of 320.46 g/mol. Its IUPAC name is N-(3-benzylsulfanylpropyl)-2-(2-oxopiperidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(3-benzylsulfanylpropyl)-2-(2-oxopiperidin-1-yl)acetamide
PubChem CID74239482
Molecular FormulaC17H24N2O2S
Molecular Weight320.46 g/mol
Exact Mass320.16
IUPAC NameN-(3-benzylsulfanylpropyl)-2-(2-oxopiperidin-1-yl)acetamide
SMILESO=C(CN1CCCCC1=O)NCCCSCc1ccccc1
InChIInChI=1S/C17H24N2O2S/c20-16(13-19-11-5-4-9-17(19)21)18-10-6-12-22-14-15-7-2-1-3-8-15/h1-3,7-8H,4-6,9-14H2,(H,18,20)
InChIKeyLCDWERYSFXEYMK-UHFFFAOYSA-N
XLogP2.44
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.46
LogP ≤ 52.44
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-(2-benzylsulfanylethyl)-2-(4,4-dimethyl-2-oxo-1,4-diazepan-4-ium-1-yl)acetamide
CID 11395046
N'-benzyl-2-(2-oxopiperidin-1-yl)-N'-phenylacetohydrazide
CID 78865761
2-(2-oxopiperidin-1-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
CID 86984731
2-[2-[[2-(2-oxoazocan-1-yl)acetyl]amino]ethylsulfanyl]acetic acid
CID 119241925
1-[[2-(2-oxoazepan-1-yl)acetyl]amino]-3-(2-phenylethyl)thiourea
CID 8677167
3-[[3-[[2-(2-oxoazocan-1-yl)acetyl]amino]phenyl]methylsulfanyl]propanoic acid
CID 119241089
N-(3-benzylsulfanylpropyl)-2-(1-methylpiperidin-4-yl)acetamide
CID 50875423
N-[2-oxo-2-[3-(2-oxoazepan-1-yl)propylamino]ethyl]-2-phenylacetamide
CID 78802507
N-(2-hydroxyethyl)-2-(2-oxoazepan-1-yl)acetamide
CID 43388932
2-(2-oxopiperidin-1-yl)-N-[(4-phenylmethoxyphenyl)methyl]acetamide
CID 78863989
N-[2-[3,4-bis(phenylmethoxy)phenyl]ethyl]-2-(2-oxoazepan-1-yl)acetamide
CID 142011046
N'-[2-(2-oxoazepan-1-yl)acetyl]-3-phenylpropanehydrazide
CID 9218984

Frequently Asked Questions

What is the IUPAC name of N-(3-benzylsulfanylpropyl)-2-(2-oxopiperidin-1-yl)acetamide?
The IUPAC name of N-(3-benzylsulfanylpropyl)-2-(2-oxopiperidin-1-yl)acetamide (CID 74239482) is N-(3-benzylsulfanylpropyl)-2-(2-oxopiperidin-1-yl)acetamide.
What is the SMILES notation for N-(3-benzylsulfanylpropyl)-2-(2-oxopiperidin-1-yl)acetamide?
The canonical SMILES for N-(3-benzylsulfanylpropyl)-2-(2-oxopiperidin-1-yl)acetamide is O=C(CN1CCCCC1=O)NCCCSCc1ccccc1.
What is the InChIKey of N-(3-benzylsulfanylpropyl)-2-(2-oxopiperidin-1-yl)acetamide?
The InChIKey is LCDWERYSFXEYMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2S/c20-16(13-19-11-5-4-9-17(19)21)18-10-6-12-22-14-15-7-2-1-3-8-15/h1-3,7-8H,4-6,9-14H2,(H,18,20).
What are the key properties of N-(3-benzylsulfanylpropyl)-2-(2-oxopiperidin-1-yl)acetamide?
N-(3-benzylsulfanylpropyl)-2-(2-oxopiperidin-1-yl)acetamide has a molecular weight of 320.46 g/mol, XLogP of 2.44, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-benzylsulfanylpropyl)-2-(2-oxopiperidin-1-yl)acetamide is sourced from PubChem (CID 74239482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).