N-cyclopropyl-3-[1-(3-methylsulfanylpropanoyl)piperidin-4-yl]propanamide

C15H26N2O2S — CID 24817520

IUPACN-cyclopropyl-3-[1-(3-methylsulfanylpropanoyl)piperidin-4-yl]propanamide
SMILESCSCCC(=O)N1CCC(CCC(=O)NC2CC2)CC1
InChIInChI=1S/C15H26N2O2S/c1-20-11-8-15(19)17-9-6-12(7-10-17)2-5-14(18)16-13-3-4-13/h12-13H,2-11H2,1H3,(H,16,18)
InChIKeyRONQOBIFEURHAU-UHFFFAOYSA-N
MW298.45 g/mol
LogP2.04
Rot. Bonds7

About N-cyclopropyl-3-[1-(3-methylsulfanylpropanoyl)piperidin-4-yl]propanamide

N-cyclopropyl-3-[1-(3-methylsulfanylpropanoyl)piperidin-4-yl]propanamide (PubChem CID 24817520) has the molecular formula C15H26N2O2S and a molecular weight of 298.45 g/mol. Its IUPAC name is N-cyclopropyl-3-[1-(3-methylsulfanylpropanoyl)piperidin-4-yl]propanamide.

Molecular Properties

Compound NameN-cyclopropyl-3-[1-(3-methylsulfanylpropanoyl)piperidin-4-yl]propanamide
PubChem CID24817520
Molecular FormulaC15H26N2O2S
Molecular Weight298.45 g/mol
Exact Mass298.17
IUPAC NameN-cyclopropyl-3-[1-(3-methylsulfanylpropanoyl)piperidin-4-yl]propanamide
SMILESCSCCC(=O)N1CCC(CCC(=O)NC2CC2)CC1
InChIInChI=1S/C15H26N2O2S/c1-20-11-8-15(19)17-9-6-12(7-10-17)2-5-14(18)16-13-3-4-13/h12-13H,2-11H2,1H3,(H,16,18)
InChIKeyRONQOBIFEURHAU-UHFFFAOYSA-N
XLogP2.04
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.45
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-[1-(3-methylsulfanylpropanoyl)piperidin-4-yl]propanamide?
The IUPAC name of N-cyclopropyl-3-[1-(3-methylsulfanylpropanoyl)piperidin-4-yl]propanamide (CID 24817520) is N-cyclopropyl-3-[1-(3-methylsulfanylpropanoyl)piperidin-4-yl]propanamide.
What is the SMILES notation for N-cyclopropyl-3-[1-(3-methylsulfanylpropanoyl)piperidin-4-yl]propanamide?
The canonical SMILES for N-cyclopropyl-3-[1-(3-methylsulfanylpropanoyl)piperidin-4-yl]propanamide is CSCCC(=O)N1CCC(CCC(=O)NC2CC2)CC1.
What is the InChIKey of N-cyclopropyl-3-[1-(3-methylsulfanylpropanoyl)piperidin-4-yl]propanamide?
The InChIKey is RONQOBIFEURHAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2S/c1-20-11-8-15(19)17-9-6-12(7-10-17)2-5-14(18)16-13-3-4-13/h12-13H,2-11H2,1H3,(H,16,18).
What are the key properties of N-cyclopropyl-3-[1-(3-methylsulfanylpropanoyl)piperidin-4-yl]propanamide?
N-cyclopropyl-3-[1-(3-methylsulfanylpropanoyl)piperidin-4-yl]propanamide has a molecular weight of 298.45 g/mol, XLogP of 2.04, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-[1-(3-methylsulfanylpropanoyl)piperidin-4-yl]propanamide is sourced from PubChem (CID 24817520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).