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

C10H18F2N2O3 — CID 134386661

IUPAC(4R,5R)-3-(difluoromethyl)-4,5-dihydroxy-N-propylpiperidine-1-carboxamide
SMILESCCCNC(=O)N1CC(C(F)F)[C@@H](O)[C@H](O)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-/m1/s1
InChIKeySSNFGQIGMZPEGK-SPDVFEMOSA-N
MW252.26 g/mol
LogP0.02
Rot. Bonds3

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

(4R,5R)-3-(difluoromethyl)-4,5-dihydroxy-N-propylpiperidine-1-carboxamide (PubChem CID 134386661) has the molecular formula C10H18F2N2O3 and a molecular weight of 252.26 g/mol. Its IUPAC name is (4R,5R)-3-(difluoromethyl)-4,5-dihydroxy-N-propylpiperidine-1-carboxamide.

Molecular Properties

Compound Name(4R,5R)-3-(difluoromethyl)-4,5-dihydroxy-N-propylpiperidine-1-carboxamide
PubChem CID134386661
Molecular FormulaC10H18F2N2O3
Molecular Weight252.26 g/mol
Exact Mass252.13
IUPAC Name(4R,5R)-3-(difluoromethyl)-4,5-dihydroxy-N-propylpiperidine-1-carboxamide
SMILESCCCNC(=O)N1CC(C(F)F)[C@@H](O)[C@H](O)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-/m1/s1
InChIKeySSNFGQIGMZPEGK-SPDVFEMOSA-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

Analyze (4R,5R)-3-(difluoromethyl)-4,5-dihydroxy-N-propylpiperidine-1-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 (4R,5R)-3-(difluoromethyl)-4,5-dihydroxy-N-propylpiperidine-1-carboxamide?
The IUPAC name of (4R,5R)-3-(difluoromethyl)-4,5-dihydroxy-N-propylpiperidine-1-carboxamide (CID 134386661) is (4R,5R)-3-(difluoromethyl)-4,5-dihydroxy-N-propylpiperidine-1-carboxamide.
What is the SMILES notation for (4R,5R)-3-(difluoromethyl)-4,5-dihydroxy-N-propylpiperidine-1-carboxamide?
The canonical SMILES for (4R,5R)-3-(difluoromethyl)-4,5-dihydroxy-N-propylpiperidine-1-carboxamide is CCCNC(=O)N1CC(C(F)F)[C@@H](O)[C@H](O)C1.
What is the InChIKey of (4R,5R)-3-(difluoromethyl)-4,5-dihydroxy-N-propylpiperidine-1-carboxamide?
The InChIKey is SSNFGQIGMZPEGK-SPDVFEMOSA-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-/m1/s1.
What are the key properties of (4R,5R)-3-(difluoromethyl)-4,5-dihydroxy-N-propylpiperidine-1-carboxamide?
(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 (4R,5R)-3-(difluoromethyl)-4,5-dihydroxy-N-propylpiperidine-1-carboxamide is sourced from PubChem (CID 134386661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).