3-methylsulfanyl-N-[1-(2-phenylethyl)piperidin-3-yl]propanamide

C17H26N2OS — CID 23723695

IUPAC3-methylsulfanyl-N-[1-(2-phenylethyl)piperidin-3-yl]propanamide
SMILESCSCCC(=O)NC1CCCN(CCc2ccccc2)C1
InChIInChI=1S/C17H26N2OS/c1-21-13-10-17(20)18-16-8-5-11-19(14-16)12-9-15-6-3-2-4-7-15/h2-4,6-7,16H,5,8-14H2,1H3,(H,18,20)
InChIKeyCTOCFSCQBIQZDE-UHFFFAOYSA-N
MW306.47 g/mol
LogP2.56
Rot. Bonds7

About 3-methylsulfanyl-N-[1-(2-phenylethyl)piperidin-3-yl]propanamide

3-methylsulfanyl-N-[1-(2-phenylethyl)piperidin-3-yl]propanamide (PubChem CID 23723695) has the molecular formula C17H26N2OS and a molecular weight of 306.47 g/mol. Its IUPAC name is 3-methylsulfanyl-N-[1-(2-phenylethyl)piperidin-3-yl]propanamide.

Molecular Properties

Compound Name3-methylsulfanyl-N-[1-(2-phenylethyl)piperidin-3-yl]propanamide
PubChem CID23723695
Molecular FormulaC17H26N2OS
Molecular Weight306.47 g/mol
Exact Mass306.18
IUPAC Name3-methylsulfanyl-N-[1-(2-phenylethyl)piperidin-3-yl]propanamide
SMILESCSCCC(=O)NC1CCCN(CCc2ccccc2)C1
InChIInChI=1S/C17H26N2OS/c1-21-13-10-17(20)18-16-8-5-11-19(14-16)12-9-15-6-3-2-4-7-15/h2-4,6-7,16H,5,8-14H2,1H3,(H,18,20)
InChIKeyCTOCFSCQBIQZDE-UHFFFAOYSA-N
XLogP2.56
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.47
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-Phenylthiomorpholin-3-one
CID 20242416
2-(S)-Amino-4-phenethylamino-1-piperidin-1-yl-butan-1-one
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Ac-D-Cys(1)-D-Ala-D-Leu-D-Leu-D-Phe-(1)
CID 155562027
N-(2-phenylethyl)-2-(phenylthio)propanamide
CID 2889783
2-(4-methyl-1-piperazinyl)-N-(1-phenylethyl)-2-thioxoacetamide
CID 2974324
2-(2-methyl-3,5-dioxothiomorpholin-4-yl)-N-(2-phenylethyl)acetamide
CID 3640249
3-[(2-fluorobenzyl)thio]-N-(1-phenylethyl)propanamide
CID 5053724
3-[(3-fluorobenzyl)thio]-N-(2-phenylethyl)propanamide
CID 5055551
1-(3-Benzylsulfanyl-propionyl)-piperidine-4-carboxylic acid amide
CID 6463287
[2-[[2-(Dimethylamino)-2-phenylethyl]amino]-2-oxoethyl] pyrrolidine-1-carbodithioate
CID 16312302
N-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-2-(methylthio)acetamide
CID 23723347
N-methyl-1-[3-(methylthio)propanoyl]-N-(2-phenylethyl)piperidin-3-amine
CID 23723498

Frequently Asked Questions

What is the IUPAC name of 3-methylsulfanyl-N-[1-(2-phenylethyl)piperidin-3-yl]propanamide?
The IUPAC name of 3-methylsulfanyl-N-[1-(2-phenylethyl)piperidin-3-yl]propanamide (CID 23723695) is 3-methylsulfanyl-N-[1-(2-phenylethyl)piperidin-3-yl]propanamide.
What is the SMILES notation for 3-methylsulfanyl-N-[1-(2-phenylethyl)piperidin-3-yl]propanamide?
The canonical SMILES for 3-methylsulfanyl-N-[1-(2-phenylethyl)piperidin-3-yl]propanamide is CSCCC(=O)NC1CCCN(CCc2ccccc2)C1.
What is the InChIKey of 3-methylsulfanyl-N-[1-(2-phenylethyl)piperidin-3-yl]propanamide?
The InChIKey is CTOCFSCQBIQZDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2OS/c1-21-13-10-17(20)18-16-8-5-11-19(14-16)12-9-15-6-3-2-4-7-15/h2-4,6-7,16H,5,8-14H2,1H3,(H,18,20).
What are the key properties of 3-methylsulfanyl-N-[1-(2-phenylethyl)piperidin-3-yl]propanamide?
3-methylsulfanyl-N-[1-(2-phenylethyl)piperidin-3-yl]propanamide has a molecular weight of 306.47 g/mol, XLogP of 2.56, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylsulfanyl-N-[1-(2-phenylethyl)piperidin-3-yl]propanamide is sourced from PubChem (CID 23723695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).