N-[1-[3-(2-chlorophenyl)sulfanylpropyl]piperidin-3-yl]propanamide

C17H25ClN2OS — CID 56510280

IUPACN-[1-[3-(2-chlorophenyl)sulfanylpropyl]piperidin-3-yl]propanamide
SMILESCCC(=O)NC1CCCN(CCCSc2ccccc2Cl)C1
InChIInChI=1S/C17H25ClN2OS/c1-2-17(21)19-14-7-5-10-20(13-14)11-6-12-22-16-9-4-3-8-15(16)18/h3-4,8-9,14H,2,5-7,10-13H2,1H3,(H,19,21)
InChIKeyFKQNOYCQXBMDJJ-UHFFFAOYSA-N
MW340.92 g/mol
LogP3.81
Rot. Bonds7

About N-[1-[3-(2-chlorophenyl)sulfanylpropyl]piperidin-3-yl]propanamide

N-[1-[3-(2-chlorophenyl)sulfanylpropyl]piperidin-3-yl]propanamide (PubChem CID 56510280) has the molecular formula C17H25ClN2OS and a molecular weight of 340.92 g/mol. Its IUPAC name is N-[1-[3-(2-chlorophenyl)sulfanylpropyl]piperidin-3-yl]propanamide.

Molecular Properties

Compound NameN-[1-[3-(2-chlorophenyl)sulfanylpropyl]piperidin-3-yl]propanamide
PubChem CID56510280
Molecular FormulaC17H25ClN2OS
Molecular Weight340.92 g/mol
Exact Mass340.14
IUPAC NameN-[1-[3-(2-chlorophenyl)sulfanylpropyl]piperidin-3-yl]propanamide
SMILESCCC(=O)NC1CCCN(CCCSc2ccccc2Cl)C1
InChIInChI=1S/C17H25ClN2OS/c1-2-17(21)19-14-7-5-10-20(13-14)11-6-12-22-16-9-4-3-8-15(16)18/h3-4,8-9,14H,2,5-7,10-13H2,1H3,(H,19,21)
InChIKeyFKQNOYCQXBMDJJ-UHFFFAOYSA-N
XLogP3.81
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.92
LogP ≤ 53.81
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-[(3S)-1-[2-[(3S)-3-(propanoylamino)piperidin-1-yl]ethyl]piperidin-3-yl]propanamide
CID 96549596
2-(2-chlorophenyl)sulfanyl-N-cyclopentylacetamide
CID 60624624
2-(2-chlorophenyl)sulfanyl-N-(1-ethylpiperidin-4-yl)acetamide
CID 36810837
N-[(3R)-1-[2-(4-tert-butylphenyl)ethyl]piperidin-3-yl]propanamide
CID 100707416
N-[1-[2-(2-fluorophenyl)-2-hydroxyethyl]piperidin-3-yl]propanamide
CID 110911087
N-[1-[(4-bromophenyl)methyl]piperidin-3-yl]propanamide
CID 75927878
3-[3-(propanoylamino)piperidin-1-yl]propanoic acid;hydrochloride
CID 71933075
N-[1-(4-phenylsulfanylbutan-2-yl)piperidin-3-yl]propanamide
CID 71850304
2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-[(3S)-1-(3-phenylpropyl)piperidin-3-yl]acetamide
CID 25491989
2-(2-chlorophenyl)sulfanyl-N-(4-methylcyclohexyl)acetamide
CID 7950418
N-[(2S)-butan-2-yl]-3-(2-chlorophenyl)sulfanylpropanamide
CID 94336047
N-(1-benzylpiperidin-3-yl)-2-(propan-2-ylamino)acetamide
CID 64590485

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(2-chlorophenyl)sulfanylpropyl]piperidin-3-yl]propanamide?
The IUPAC name of N-[1-[3-(2-chlorophenyl)sulfanylpropyl]piperidin-3-yl]propanamide (CID 56510280) is N-[1-[3-(2-chlorophenyl)sulfanylpropyl]piperidin-3-yl]propanamide.
What is the SMILES notation for N-[1-[3-(2-chlorophenyl)sulfanylpropyl]piperidin-3-yl]propanamide?
The canonical SMILES for N-[1-[3-(2-chlorophenyl)sulfanylpropyl]piperidin-3-yl]propanamide is CCC(=O)NC1CCCN(CCCSc2ccccc2Cl)C1.
What is the InChIKey of N-[1-[3-(2-chlorophenyl)sulfanylpropyl]piperidin-3-yl]propanamide?
The InChIKey is FKQNOYCQXBMDJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25ClN2OS/c1-2-17(21)19-14-7-5-10-20(13-14)11-6-12-22-16-9-4-3-8-15(16)18/h3-4,8-9,14H,2,5-7,10-13H2,1H3,(H,19,21).
What are the key properties of N-[1-[3-(2-chlorophenyl)sulfanylpropyl]piperidin-3-yl]propanamide?
N-[1-[3-(2-chlorophenyl)sulfanylpropyl]piperidin-3-yl]propanamide has a molecular weight of 340.92 g/mol, XLogP of 3.81, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-(2-chlorophenyl)sulfanylpropyl]piperidin-3-yl]propanamide is sourced from PubChem (CID 56510280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).