3-(1-fluoroethyl)-4,5-dihydroxy-N-propylpiperidine-1-carboxamide

C11H21FN2O3 — CID 123817928

IUPAC3-(1-fluoroethyl)-4,5-dihydroxy-N-propylpiperidine-1-carboxamide
SMILESCCCNC(=O)N1CC(O)C(O)C(C(C)F)C1
InChIInChI=1S/C11H21FN2O3/c1-3-4-13-11(17)14-5-8(7(2)12)10(16)9(15)6-14/h7-10,15-16H,3-6H2,1-2H3,(H,13,17)
InChIKeyRUPBTQLBMVQDMF-UHFFFAOYSA-N
MW248.30 g/mol
LogP0.12
Rot. Bonds3

About 3-(1-fluoroethyl)-4,5-dihydroxy-N-propylpiperidine-1-carboxamide

3-(1-fluoroethyl)-4,5-dihydroxy-N-propylpiperidine-1-carboxamide (PubChem CID 123817928) has the molecular formula C11H21FN2O3 and a molecular weight of 248.30 g/mol. Its IUPAC name is 3-(1-fluoroethyl)-4,5-dihydroxy-N-propylpiperidine-1-carboxamide.

Molecular Properties

Compound Name3-(1-fluoroethyl)-4,5-dihydroxy-N-propylpiperidine-1-carboxamide
PubChem CID123817928
Molecular FormulaC11H21FN2O3
Molecular Weight248.30 g/mol
Exact Mass248.15
IUPAC Name3-(1-fluoroethyl)-4,5-dihydroxy-N-propylpiperidine-1-carboxamide
SMILESCCCNC(=O)N1CC(O)C(O)C(C(C)F)C1
InChIInChI=1S/C11H21FN2O3/c1-3-4-13-11(17)14-5-8(7(2)12)10(16)9(15)6-14/h7-10,15-16H,3-6H2,1-2H3,(H,13,17)
InChIKeyRUPBTQLBMVQDMF-UHFFFAOYSA-N
XLogP0.12
TPSA72.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.30
LogP ≤ 50.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-hydroxypropyl)-N-(4-methylhexan-2-yl)morpholine-4-carboxamide
CID 86795742
(2S)-2beta-(Trifluoroacetylamino)-5alpha-methylpiperidine-3alpha,4alpha-diol
CID 9837683
N-(3,4-dihydroxy-5-methylpiperidin-2-yl)-2,2,2-trifluoroacetamide
CID 23000885
(3S,4R,5R)-3-(difluoromethyl)-4,5-dihydroxy-N-propylpiperidine-1-carboxamide
CID 51356760
(3S,4R,5R)-N-butyl-3-(difluoromethyl)-4,5-dihydroxypiperidine-1-carboxamide
CID 51357033
N-butyl-3-(difluoromethyl)-4,5-dihydroxypiperidine-1-carboxamide
CID 75631617
N-ethyl-3-(1-fluoropropyl)-4,5-dihydroxypiperidine-1-carboxamide
CID 123825890
1-[Butylamino(hydroxy)methyl]-5-(difluoromethyl)piperidine-3,4-diol
CID 123928023
(5S)-N-butyl-3-(difluoromethyl)-5-hydroxypiperidine-1-carboxamide
CID 126716147
3-(difluoromethyl)-5-hydroxy-N-propylpiperidine-1-carboxamide
CID 126716201
N-butyl-3-(difluoromethyl)-5-hydroxypiperidine-1-carboxamide
CID 130283303
(4R,5R)-3-(difluoromethyl)-4,5-dihydroxy-N-propylpiperidine-1-carboxamide
CID 134386661

Frequently Asked Questions

What is the IUPAC name of 3-(1-fluoroethyl)-4,5-dihydroxy-N-propylpiperidine-1-carboxamide?
The IUPAC name of 3-(1-fluoroethyl)-4,5-dihydroxy-N-propylpiperidine-1-carboxamide (CID 123817928) is 3-(1-fluoroethyl)-4,5-dihydroxy-N-propylpiperidine-1-carboxamide.
What is the SMILES notation for 3-(1-fluoroethyl)-4,5-dihydroxy-N-propylpiperidine-1-carboxamide?
The canonical SMILES for 3-(1-fluoroethyl)-4,5-dihydroxy-N-propylpiperidine-1-carboxamide is CCCNC(=O)N1CC(O)C(O)C(C(C)F)C1.
What is the InChIKey of 3-(1-fluoroethyl)-4,5-dihydroxy-N-propylpiperidine-1-carboxamide?
The InChIKey is RUPBTQLBMVQDMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21FN2O3/c1-3-4-13-11(17)14-5-8(7(2)12)10(16)9(15)6-14/h7-10,15-16H,3-6H2,1-2H3,(H,13,17).
What are the key properties of 3-(1-fluoroethyl)-4,5-dihydroxy-N-propylpiperidine-1-carboxamide?
3-(1-fluoroethyl)-4,5-dihydroxy-N-propylpiperidine-1-carboxamide has a molecular weight of 248.30 g/mol, XLogP of 0.12, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-fluoroethyl)-4,5-dihydroxy-N-propylpiperidine-1-carboxamide is sourced from PubChem (CID 123817928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).