1-(3-phenylsulfanylpropanoyl)piperidine-4-carboxamide

C15H20N2O2S — CID 769769

IUPAC1-(3-phenylsulfanylpropanoyl)piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C(=O)CCSc2ccccc2)CC1
InChIInChI=1S/C15H20N2O2S/c16-15(19)12-6-9-17(10-7-12)14(18)8-11-20-13-4-2-1-3-5-13/h1-5,12H,6-11H2,(H2,16,19)
InChIKeyCRIZKKALFPATJF-UHFFFAOYSA-N
MW292.40 g/mol
LogP1.89
Rot. Bonds5

About 1-(3-phenylsulfanylpropanoyl)piperidine-4-carboxamide

1-(3-phenylsulfanylpropanoyl)piperidine-4-carboxamide (PubChem CID 769769) has the molecular formula C15H20N2O2S and a molecular weight of 292.40 g/mol. Its IUPAC name is 1-(3-phenylsulfanylpropanoyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(3-phenylsulfanylpropanoyl)piperidine-4-carboxamide
PubChem CID769769
Molecular FormulaC15H20N2O2S
Molecular Weight292.40 g/mol
Exact Mass292.12
IUPAC Name1-(3-phenylsulfanylpropanoyl)piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C(=O)CCSc2ccccc2)CC1
InChIInChI=1S/C15H20N2O2S/c16-15(19)12-6-9-17(10-7-12)14(18)8-11-20-13-4-2-1-3-5-13/h1-5,12H,6-11H2,(H2,16,19)
InChIKeyCRIZKKALFPATJF-UHFFFAOYSA-N
XLogP1.89
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(4-Methylphenyl)sulfanylacetyl]piperidine-4-carboxamide
CID 886822
1-(3-Benzylsulfanyl-propionyl)-piperidine-4-carboxylic acid amide
CID 6463287
1-[2-Hydroxy-3-(phenylthio)propyl]piperidine-4-carboxamide
CID 2809815
1-{3-[(4-Chlorophenyl)sulfanyl]propanoyl}piperidine-4-carboxamide
CID 778062
4-Methylphenyl 3-(4-methyl-1-piperidinyl)-3-oxopropyl sulfide
CID 900529
1'-[(Phenylthio)acetyl]-4-(1-pyrrolidinylcarbonyl)-1,4'-bipiperidine
CID 16189063
[1-(Benzenesulfonyl)cyclopent-3-en-1-yl]-piperidin-1-ylmethanone
CID 24816513
1-[3-(4-Fluorophenyl)sulfanyl-2-hydroxypropyl]piperidine-4-carboxamide
CID 2809875
1-[2-(4-Methylphenyl)sulfanylpropanoyl]piperidine-4-carboxamide
CID 2947690
AC1Lgqzx
CID 875426
1-(3-p-Tolylsulfanyl-propionyl)-piperidine-4-carboxylic acid amide
CID 649130
Ethyl 1-[(phenylthio)acetyl]-4-piperidinecarboxylate
CID 807612

Frequently Asked Questions

What is the IUPAC name of 1-(3-phenylsulfanylpropanoyl)piperidine-4-carboxamide?
The IUPAC name of 1-(3-phenylsulfanylpropanoyl)piperidine-4-carboxamide (CID 769769) is 1-(3-phenylsulfanylpropanoyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(3-phenylsulfanylpropanoyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(3-phenylsulfanylpropanoyl)piperidine-4-carboxamide is NC(=O)C1CCN(C(=O)CCSc2ccccc2)CC1.
What is the InChIKey of 1-(3-phenylsulfanylpropanoyl)piperidine-4-carboxamide?
The InChIKey is CRIZKKALFPATJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2S/c16-15(19)12-6-9-17(10-7-12)14(18)8-11-20-13-4-2-1-3-5-13/h1-5,12H,6-11H2,(H2,16,19).
What are the key properties of 1-(3-phenylsulfanylpropanoyl)piperidine-4-carboxamide?
1-(3-phenylsulfanylpropanoyl)piperidine-4-carboxamide has a molecular weight of 292.40 g/mol, XLogP of 1.89, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-phenylsulfanylpropanoyl)piperidine-4-carboxamide is sourced from PubChem (CID 769769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).