1-[3-(4-chlorophenyl)sulfanylpropanoyl]piperidine-4-carboxamide

C15H19ClN2O2S — CID 778062

IUPAC1-[3-(4-chlorophenyl)sulfanylpropanoyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C(=O)CCSc2ccc(Cl)cc2)CC1
InChIInChI=1S/C15H19ClN2O2S/c16-12-1-3-13(4-2-12)21-10-7-14(19)18-8-5-11(6-9-18)15(17)20/h1-4,11H,5-10H2,(H2,17,20)
InChIKeyWSPCGMYOAYOFMJ-UHFFFAOYSA-N
MW326.85 g/mol
LogP2.55
Rot. Bonds5

About 1-[3-(4-chlorophenyl)sulfanylpropanoyl]piperidine-4-carboxamide

1-[3-(4-chlorophenyl)sulfanylpropanoyl]piperidine-4-carboxamide (PubChem CID 778062) has the molecular formula C15H19ClN2O2S and a molecular weight of 326.85 g/mol. Its IUPAC name is 1-[3-(4-chlorophenyl)sulfanylpropanoyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[3-(4-chlorophenyl)sulfanylpropanoyl]piperidine-4-carboxamide
PubChem CID778062
Molecular FormulaC15H19ClN2O2S
Molecular Weight326.85 g/mol
Exact Mass326.09
IUPAC Name1-[3-(4-chlorophenyl)sulfanylpropanoyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C(=O)CCSc2ccc(Cl)cc2)CC1
InChIInChI=1S/C15H19ClN2O2S/c16-12-1-3-13(4-2-12)21-10-7-14(19)18-8-5-11(6-9-18)15(17)20/h1-4,11H,5-10H2,(H2,17,20)
InChIKeyWSPCGMYOAYOFMJ-UHFFFAOYSA-N
XLogP2.55
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.85
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-{2-[(4-Chlorophenyl)sulfonyl]ethyl}piperidine-4-carboxamide
CID 2821923
1-[2-(4-Chloro-phenylsulfanyl)-acetyl]-piperidine-4-carboxylic acid ethyl ester
CID 769763
3-[(4-chlorophenyl)thio]-N-cyclohexylpropanamide
CID 875307
1-(4-chlorophenyl)sulfonyl-N-(3-piperidin-1-ylpropyl)cyclopropane-1-carboxamide
CID 5309230
1-(3-Phenylsulfanyl-propionyl)-piperidine-4-carboxylic acid amide
CID 769769
2-((4-chlorophenyl)thio)-N-isobutylacetamide
CID 875637
2-[(4-chlorophenyl)thio]-N-pentylpropanamide
CID 2954807
1-[2-[(4-Chlorophenyl)thio]-1-oxopropyl]-4-piperidinecarboxylic acid ethyl ester
CID 3151135
1-[2-(2-Chloro-benzylsulfanyl)-acetyl]-piperidine-4-carboxylic acid amide
CID 654242
3-[(4-Chlorophenyl)sulfanylmethyl]-1-methylpiperidine-2,6-dione
CID 172449547
3-[(4-Chlorophenyl)sulfanylmethyl]piperidine-2,6-dione
CID 172458014
2-(4-Chlorophenyl)sulfanyl-1-piperidin-1-ylethanone
CID 875237

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-chlorophenyl)sulfanylpropanoyl]piperidine-4-carboxamide?
The IUPAC name of 1-[3-(4-chlorophenyl)sulfanylpropanoyl]piperidine-4-carboxamide (CID 778062) is 1-[3-(4-chlorophenyl)sulfanylpropanoyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[3-(4-chlorophenyl)sulfanylpropanoyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[3-(4-chlorophenyl)sulfanylpropanoyl]piperidine-4-carboxamide is NC(=O)C1CCN(C(=O)CCSc2ccc(Cl)cc2)CC1.
What is the InChIKey of 1-[3-(4-chlorophenyl)sulfanylpropanoyl]piperidine-4-carboxamide?
The InChIKey is WSPCGMYOAYOFMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O2S/c16-12-1-3-13(4-2-12)21-10-7-14(19)18-8-5-11(6-9-18)15(17)20/h1-4,11H,5-10H2,(H2,17,20).
What are the key properties of 1-[3-(4-chlorophenyl)sulfanylpropanoyl]piperidine-4-carboxamide?
1-[3-(4-chlorophenyl)sulfanylpropanoyl]piperidine-4-carboxamide has a molecular weight of 326.85 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-chlorophenyl)sulfanylpropanoyl]piperidine-4-carboxamide is sourced from PubChem (CID 778062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).