2-[1-(3-phenyl-2-sulfanylpropanoyl)piperidin-4-yl]acetamide

C16H22N2O2S — CID 107026191

IUPAC2-[1-(3-phenyl-2-sulfanylpropanoyl)piperidin-4-yl]acetamide
SMILESNC(=O)CC1CCN(C(=O)C(S)Cc2ccccc2)CC1
InChIInChI=1S/C16H22N2O2S/c17-15(19)11-13-6-8-18(9-7-13)16(20)14(21)10-12-4-2-1-3-5-12/h1-5,13-14,21H,6-11H2,(H2,17,19)
InChIKeyXUDIPQDQKMXTFT-UHFFFAOYSA-N
MW306.43 g/mol
LogP1.64
Rot. Bonds5

About 2-[1-(3-phenyl-2-sulfanylpropanoyl)piperidin-4-yl]acetamide

2-[1-(3-phenyl-2-sulfanylpropanoyl)piperidin-4-yl]acetamide (PubChem CID 107026191) has the molecular formula C16H22N2O2S and a molecular weight of 306.43 g/mol. Its IUPAC name is 2-[1-(3-phenyl-2-sulfanylpropanoyl)piperidin-4-yl]acetamide.

Molecular Properties

Compound Name2-[1-(3-phenyl-2-sulfanylpropanoyl)piperidin-4-yl]acetamide
PubChem CID107026191
Molecular FormulaC16H22N2O2S
Molecular Weight306.43 g/mol
Exact Mass306.14
IUPAC Name2-[1-(3-phenyl-2-sulfanylpropanoyl)piperidin-4-yl]acetamide
SMILESNC(=O)CC1CCN(C(=O)C(S)Cc2ccccc2)CC1
InChIInChI=1S/C16H22N2O2S/c17-15(19)11-13-6-8-18(9-7-13)16(20)14(21)10-12-4-2-1-3-5-12/h1-5,13-14,21H,6-11H2,(H2,17,19)
InChIKeyXUDIPQDQKMXTFT-UHFFFAOYSA-N
XLogP1.64
TPSA63.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.43
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

2-[1-(2-amino-3-phenylpropanoyl)piperidin-4-yl]acetamide
CID 60962563
1-[4-[(dimethylamino)methyl]piperidin-1-yl]-3-phenyl-2-sulfanylpropan-1-one
CID 107026032
3-phenyl-2-sulfanyl-1-[4-(trifluoromethyl)piperidin-1-yl]propan-1-one
CID 107031432
1-(4-methoxypiperidin-1-yl)-3-phenyl-2-sulfanylpropan-1-one
CID 107022640
1-(azepan-1-yl)-3-phenyl-2-sulfanylpropan-1-one
CID 107019625
2-[1-(3-amino-2-phenylpropanoyl)piperidin-4-yl]acetamide;hydrochloride
CID 119727574
1-(3-hydroxy-4-methylpiperidin-1-yl)-3-phenyl-2-sulfanylpropan-1-one
CID 107036847
3-phenyl-1-piperazin-1-yl-2-sulfanylpropan-1-one
CID 82511771
1-(1,1-dioxo-1,4-thiazinan-4-yl)-3-phenyl-2-sulfanylpropan-1-one
CID 107023213
1-(1-oxo-1,4-thiazinan-4-yl)-3-phenyl-2-sulfanylpropan-1-one
CID 107025926
(2R)-2-amino-1-[4-(hydroxymethyl)piperidin-1-yl]-3-phenylpropan-1-one
CID 78985406
1-(8-azaspiro[4.5]decan-8-yl)-3-phenyl-2-sulfanylpropan-1-one
CID 107029334

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-phenyl-2-sulfanylpropanoyl)piperidin-4-yl]acetamide?
The IUPAC name of 2-[1-(3-phenyl-2-sulfanylpropanoyl)piperidin-4-yl]acetamide (CID 107026191) is 2-[1-(3-phenyl-2-sulfanylpropanoyl)piperidin-4-yl]acetamide.
What is the SMILES notation for 2-[1-(3-phenyl-2-sulfanylpropanoyl)piperidin-4-yl]acetamide?
The canonical SMILES for 2-[1-(3-phenyl-2-sulfanylpropanoyl)piperidin-4-yl]acetamide is NC(=O)CC1CCN(C(=O)C(S)Cc2ccccc2)CC1.
What is the InChIKey of 2-[1-(3-phenyl-2-sulfanylpropanoyl)piperidin-4-yl]acetamide?
The InChIKey is XUDIPQDQKMXTFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2S/c17-15(19)11-13-6-8-18(9-7-13)16(20)14(21)10-12-4-2-1-3-5-12/h1-5,13-14,21H,6-11H2,(H2,17,19).
What are the key properties of 2-[1-(3-phenyl-2-sulfanylpropanoyl)piperidin-4-yl]acetamide?
2-[1-(3-phenyl-2-sulfanylpropanoyl)piperidin-4-yl]acetamide has a molecular weight of 306.43 g/mol, XLogP of 1.64, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-phenyl-2-sulfanylpropanoyl)piperidin-4-yl]acetamide is sourced from PubChem (CID 107026191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).