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

C11H20F2N2O2 — CID 139513575

IUPAC(3R,4R,5S)-3-(difluoromethyl)-5-hydroxy-4-methyl-N-propylpiperidine-1-carboxamide
SMILESCCCNC(=O)N1C[C@@H](O)[C@H](C)[C@@H](C(F)F)C1
InChIInChI=1S/C11H20F2N2O2/c1-3-4-14-11(17)15-5-8(10(12)13)7(2)9(16)6-15/h7-10,16H,3-6H2,1-2H3,(H,14,17)/t7-,8+,9-/m1/s1
InChIKeyRDISSQUMMHJMON-HRDYMLBCSA-N
MW250.29 g/mol
LogP1.30
Rot. Bonds3

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

(3R,4R,5S)-3-(difluoromethyl)-5-hydroxy-4-methyl-N-propylpiperidine-1-carboxamide (PubChem CID 139513575) has the molecular formula C11H20F2N2O2 and a molecular weight of 250.29 g/mol. Its IUPAC name is (3R,4R,5S)-3-(difluoromethyl)-5-hydroxy-4-methyl-N-propylpiperidine-1-carboxamide.

Molecular Properties

Compound Name(3R,4R,5S)-3-(difluoromethyl)-5-hydroxy-4-methyl-N-propylpiperidine-1-carboxamide
PubChem CID139513575
Molecular FormulaC11H20F2N2O2
Molecular Weight250.29 g/mol
Exact Mass250.15
IUPAC Name(3R,4R,5S)-3-(difluoromethyl)-5-hydroxy-4-methyl-N-propylpiperidine-1-carboxamide
SMILESCCCNC(=O)N1C[C@@H](O)[C@H](C)[C@@H](C(F)F)C1
InChIInChI=1S/C11H20F2N2O2/c1-3-4-14-11(17)15-5-8(10(12)13)7(2)9(16)6-15/h7-10,16H,3-6H2,1-2H3,(H,14,17)/t7-,8+,9-/m1/s1
InChIKeyRDISSQUMMHJMON-HRDYMLBCSA-N
XLogP1.30
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.29
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R,4R,5S)-3-(difluoromethyl)-5-hydroxy-4-methyl-N-propylpiperidine-1-carboxamide?
The IUPAC name of (3R,4R,5S)-3-(difluoromethyl)-5-hydroxy-4-methyl-N-propylpiperidine-1-carboxamide (CID 139513575) is (3R,4R,5S)-3-(difluoromethyl)-5-hydroxy-4-methyl-N-propylpiperidine-1-carboxamide.
What is the SMILES notation for (3R,4R,5S)-3-(difluoromethyl)-5-hydroxy-4-methyl-N-propylpiperidine-1-carboxamide?
The canonical SMILES for (3R,4R,5S)-3-(difluoromethyl)-5-hydroxy-4-methyl-N-propylpiperidine-1-carboxamide is CCCNC(=O)N1C[C@@H](O)[C@H](C)[C@@H](C(F)F)C1.
What is the InChIKey of (3R,4R,5S)-3-(difluoromethyl)-5-hydroxy-4-methyl-N-propylpiperidine-1-carboxamide?
The InChIKey is RDISSQUMMHJMON-HRDYMLBCSA-N. The full InChI is InChI=1S/C11H20F2N2O2/c1-3-4-14-11(17)15-5-8(10(12)13)7(2)9(16)6-15/h7-10,16H,3-6H2,1-2H3,(H,14,17)/t7-,8+,9-/m1/s1.
What are the key properties of (3R,4R,5S)-3-(difluoromethyl)-5-hydroxy-4-methyl-N-propylpiperidine-1-carboxamide?
(3R,4R,5S)-3-(difluoromethyl)-5-hydroxy-4-methyl-N-propylpiperidine-1-carboxamide has a molecular weight of 250.29 g/mol, XLogP of 1.30, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R,5S)-3-(difluoromethyl)-5-hydroxy-4-methyl-N-propylpiperidine-1-carboxamide is sourced from PubChem (CID 139513575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).