(3S,4R,5R)-3-(difluoromethyl)-4,5-dihydroxy-N-propylpiperidine-1-carboxamide

C10H18F2N2O3 — CID 51356760

IUPAC(3S,4R,5R)-3-(difluoromethyl)-4,5-dihydroxy-N-propylpiperidine-1-carboxamide
SMILESCCCNC(=O)N1C[C@@H](O)[C@H](O)[C@@H](C(F)F)C1
InChIInChI=1S/C10H18F2N2O3/c1-2-3-13-10(17)14-4-6(9(11)12)8(16)7(15)5-14/h6-9,15-16H,2-5H2,1H3,(H,13,17)/t6-,7+,8+/m0/s1
InChIKeySSNFGQIGMZPEGK-XLPZGREQSA-N
MW252.26 g/mol
LogP0.02
Rot. Bonds3

About (3S,4R,5R)-3-(difluoromethyl)-4,5-dihydroxy-N-propylpiperidine-1-carboxamide

(3S,4R,5R)-3-(difluoromethyl)-4,5-dihydroxy-N-propylpiperidine-1-carboxamide (PubChem CID 51356760) has the molecular formula C10H18F2N2O3 and a molecular weight of 252.26 g/mol. Its IUPAC name is (3S,4R,5R)-3-(difluoromethyl)-4,5-dihydroxy-N-propylpiperidine-1-carboxamide.

Molecular Properties

Compound Name(3S,4R,5R)-3-(difluoromethyl)-4,5-dihydroxy-N-propylpiperidine-1-carboxamide
PubChem CID51356760
Molecular FormulaC10H18F2N2O3
Molecular Weight252.26 g/mol
Exact Mass252.13
IUPAC Name(3S,4R,5R)-3-(difluoromethyl)-4,5-dihydroxy-N-propylpiperidine-1-carboxamide
SMILESCCCNC(=O)N1C[C@@H](O)[C@H](O)[C@@H](C(F)F)C1
InChIInChI=1S/C10H18F2N2O3/c1-2-3-13-10(17)14-4-6(9(11)12)8(16)7(15)5-14/h6-9,15-16H,2-5H2,1H3,(H,13,17)/t6-,7+,8+/m0/s1
InChIKeySSNFGQIGMZPEGK-XLPZGREQSA-N
XLogP0.02
TPSA72.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.26
LogP ≤ 50.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S,4R,5R)-3-(difluoromethyl)-4,5-dihydroxy-N-propylpiperidine-1-carboxamide?
The IUPAC name of (3S,4R,5R)-3-(difluoromethyl)-4,5-dihydroxy-N-propylpiperidine-1-carboxamide (CID 51356760) is (3S,4R,5R)-3-(difluoromethyl)-4,5-dihydroxy-N-propylpiperidine-1-carboxamide.
What is the SMILES notation for (3S,4R,5R)-3-(difluoromethyl)-4,5-dihydroxy-N-propylpiperidine-1-carboxamide?
The canonical SMILES for (3S,4R,5R)-3-(difluoromethyl)-4,5-dihydroxy-N-propylpiperidine-1-carboxamide is CCCNC(=O)N1C[C@@H](O)[C@H](O)[C@@H](C(F)F)C1.
What is the InChIKey of (3S,4R,5R)-3-(difluoromethyl)-4,5-dihydroxy-N-propylpiperidine-1-carboxamide?
The InChIKey is SSNFGQIGMZPEGK-XLPZGREQSA-N. The full InChI is InChI=1S/C10H18F2N2O3/c1-2-3-13-10(17)14-4-6(9(11)12)8(16)7(15)5-14/h6-9,15-16H,2-5H2,1H3,(H,13,17)/t6-,7+,8+/m0/s1.
What are the key properties of (3S,4R,5R)-3-(difluoromethyl)-4,5-dihydroxy-N-propylpiperidine-1-carboxamide?
(3S,4R,5R)-3-(difluoromethyl)-4,5-dihydroxy-N-propylpiperidine-1-carboxamide has a molecular weight of 252.26 g/mol, XLogP of 0.02, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R,5R)-3-(difluoromethyl)-4,5-dihydroxy-N-propylpiperidine-1-carboxamide is sourced from PubChem (CID 51356760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).