4-fluoro-N-[2-methyl-1-(3,4,5-trihydroxy-6-methylsulfanyloxan-2-yl)propyl]-4-propylpiperidine-2-carboxamide

C19H35FN2O5S — CID 11166121

IUPAC4-fluoro-N-[2-methyl-1-(3,4,5-trihydroxy-6-methylsulfanyloxan-2-yl)propyl]-4-propylpiperidine-2-carboxamide
SMILESCCCC1(F)CCNC(C(=O)NC(C(C)C)C2OC(SC)C(O)C(O)C2O)C1
InChIInChI=1S/C19H35FN2O5S/c1-5-6-19(20)7-8-21-11(9-19)17(26)22-12(10(2)3)16-14(24)13(23)15(25)18(27-16)28-4/h10-16,18,21,23-25H,5-9H2,1-4H3,(H,22,26)
InChIKeyMKTSNRNWQWWNBS-UHFFFAOYSA-N
MW422.56 g/mol
LogP0.56
Rot. Bonds7

About 4-fluoro-N-[2-methyl-1-(3,4,5-trihydroxy-6-methylsulfanyloxan-2-yl)propyl]-4-propylpiperidine-2-carboxamide

4-fluoro-N-[2-methyl-1-(3,4,5-trihydroxy-6-methylsulfanyloxan-2-yl)propyl]-4-propylpiperidine-2-carboxamide (PubChem CID 11166121) has the molecular formula C19H35FN2O5S and a molecular weight of 422.56 g/mol. Its IUPAC name is 4-fluoro-N-[2-methyl-1-(3,4,5-trihydroxy-6-methylsulfanyloxan-2-yl)propyl]-4-propylpiperidine-2-carboxamide.

Molecular Properties

Compound Name4-fluoro-N-[2-methyl-1-(3,4,5-trihydroxy-6-methylsulfanyloxan-2-yl)propyl]-4-propylpiperidine-2-carboxamide
PubChem CID11166121
Molecular FormulaC19H35FN2O5S
Molecular Weight422.56 g/mol
Exact Mass422.23
IUPAC Name4-fluoro-N-[2-methyl-1-(3,4,5-trihydroxy-6-methylsulfanyloxan-2-yl)propyl]-4-propylpiperidine-2-carboxamide
SMILESCCCC1(F)CCNC(C(=O)NC(C(C)C)C2OC(SC)C(O)C(O)C2O)C1
InChIInChI=1S/C19H35FN2O5S/c1-5-6-19(20)7-8-21-11(9-19)17(26)22-12(10(2)3)16-14(24)13(23)15(25)18(27-16)28-4/h10-16,18,21,23-25H,5-9H2,1-4H3,(H,22,26)
InChIKeyMKTSNRNWQWWNBS-UHFFFAOYSA-N
XLogP0.56
TPSA111.05 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.56
LogP ≤ 50.56
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Analyze 4-fluoro-N-[2-methyl-1-(3,4,5-trihydroxy-6-methylsulfanyloxan-2-yl)propyl]-4-propylpiperidine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[2-methyl-1-(3,4,5-trihydroxy-6-methylsulfanyloxan-2-yl)propyl]-4-propylpiperidine-2-carboxamide?
The IUPAC name of 4-fluoro-N-[2-methyl-1-(3,4,5-trihydroxy-6-methylsulfanyloxan-2-yl)propyl]-4-propylpiperidine-2-carboxamide (CID 11166121) is 4-fluoro-N-[2-methyl-1-(3,4,5-trihydroxy-6-methylsulfanyloxan-2-yl)propyl]-4-propylpiperidine-2-carboxamide.
What is the SMILES notation for 4-fluoro-N-[2-methyl-1-(3,4,5-trihydroxy-6-methylsulfanyloxan-2-yl)propyl]-4-propylpiperidine-2-carboxamide?
The canonical SMILES for 4-fluoro-N-[2-methyl-1-(3,4,5-trihydroxy-6-methylsulfanyloxan-2-yl)propyl]-4-propylpiperidine-2-carboxamide is CCCC1(F)CCNC(C(=O)NC(C(C)C)C2OC(SC)C(O)C(O)C2O)C1.
What is the InChIKey of 4-fluoro-N-[2-methyl-1-(3,4,5-trihydroxy-6-methylsulfanyloxan-2-yl)propyl]-4-propylpiperidine-2-carboxamide?
The InChIKey is MKTSNRNWQWWNBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35FN2O5S/c1-5-6-19(20)7-8-21-11(9-19)17(26)22-12(10(2)3)16-14(24)13(23)15(25)18(27-16)28-4/h10-16,18,21,23-25H,5-9H2,1-4H3,(H,22,26).
What are the key properties of 4-fluoro-N-[2-methyl-1-(3,4,5-trihydroxy-6-methylsulfanyloxan-2-yl)propyl]-4-propylpiperidine-2-carboxamide?
4-fluoro-N-[2-methyl-1-(3,4,5-trihydroxy-6-methylsulfanyloxan-2-yl)propyl]-4-propylpiperidine-2-carboxamide has a molecular weight of 422.56 g/mol, XLogP of 0.56, 7 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[2-methyl-1-(3,4,5-trihydroxy-6-methylsulfanyloxan-2-yl)propyl]-4-propylpiperidine-2-carboxamide is sourced from PubChem (CID 11166121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).