N-butyl-3-(difluoromethyl)-4,5-dihydroxypiperidine-1-carboxamide

C11H20F2N2O3 — CID 75631617

IUPACN-butyl-3-(difluoromethyl)-4,5-dihydroxypiperidine-1-carboxamide
SMILESCCCCNC(=O)N1CC(O)C(O)C(C(F)F)C1
InChIInChI=1S/C11H20F2N2O3/c1-2-3-4-14-11(18)15-5-7(10(12)13)9(17)8(16)6-15/h7-10,16-17H,2-6H2,1H3,(H,14,18)
InChIKeyYBUDTNMIGIZUCI-UHFFFAOYSA-N
MW266.29 g/mol
LogP0.41
Rot. Bonds4

About N-butyl-3-(difluoromethyl)-4,5-dihydroxypiperidine-1-carboxamide

N-butyl-3-(difluoromethyl)-4,5-dihydroxypiperidine-1-carboxamide (PubChem CID 75631617) has the molecular formula C11H20F2N2O3 and a molecular weight of 266.29 g/mol. Its IUPAC name is N-butyl-3-(difluoromethyl)-4,5-dihydroxypiperidine-1-carboxamide.

Molecular Properties

Compound NameN-butyl-3-(difluoromethyl)-4,5-dihydroxypiperidine-1-carboxamide
PubChem CID75631617
Molecular FormulaC11H20F2N2O3
Molecular Weight266.29 g/mol
Exact Mass266.14
IUPAC NameN-butyl-3-(difluoromethyl)-4,5-dihydroxypiperidine-1-carboxamide
SMILESCCCCNC(=O)N1CC(O)C(O)C(C(F)F)C1
InChIInChI=1S/C11H20F2N2O3/c1-2-3-4-14-11(18)15-5-7(10(12)13)9(17)8(16)6-15/h7-10,16-17H,2-6H2,1H3,(H,14,18)
InChIKeyYBUDTNMIGIZUCI-UHFFFAOYSA-N
XLogP0.41
TPSA72.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.29
LogP ≤ 50.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[2-Hydroxy-3-(4-methylpiperidin-1-yl)propyl]-3-(2,2,2-trifluoroethyl)urea
CID 53616052
(3S)-3-hydroxy-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide
CID 107224960
(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
(3S,4R,5R)-N-butyl-3-(difluoromethyl)-4,5-dihydroxypiperidine-1-carbothioamide
CID 51357034
N-butyl-3-(difluoromethyl)-4,5-dihydroxypiperidine-1-carbothioamide
CID 75631618
N-[(2S,3S,4R,5R)-1,2,6-trifluoro-3,4-dihydroxy-5-methylpiperidin-2-yl]acetamide
CID 88046157
3-(1-fluoroethyl)-4,5-dihydroxy-N-propylpiperidine-1-carboxamide
CID 123817928
N-ethyl-3-(1-fluoropropyl)-4,5-dihydroxypiperidine-1-carboxamide
CID 123825890
1-[Butylamino(hydroxy)methyl]-5-(difluoromethyl)piperidine-3,4-diol
CID 123928023

Frequently Asked Questions

What is the IUPAC name of N-butyl-3-(difluoromethyl)-4,5-dihydroxypiperidine-1-carboxamide?
The IUPAC name of N-butyl-3-(difluoromethyl)-4,5-dihydroxypiperidine-1-carboxamide (CID 75631617) is N-butyl-3-(difluoromethyl)-4,5-dihydroxypiperidine-1-carboxamide.
What is the SMILES notation for N-butyl-3-(difluoromethyl)-4,5-dihydroxypiperidine-1-carboxamide?
The canonical SMILES for N-butyl-3-(difluoromethyl)-4,5-dihydroxypiperidine-1-carboxamide is CCCCNC(=O)N1CC(O)C(O)C(C(F)F)C1.
What is the InChIKey of N-butyl-3-(difluoromethyl)-4,5-dihydroxypiperidine-1-carboxamide?
The InChIKey is YBUDTNMIGIZUCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F2N2O3/c1-2-3-4-14-11(18)15-5-7(10(12)13)9(17)8(16)6-15/h7-10,16-17H,2-6H2,1H3,(H,14,18).
What are the key properties of N-butyl-3-(difluoromethyl)-4,5-dihydroxypiperidine-1-carboxamide?
N-butyl-3-(difluoromethyl)-4,5-dihydroxypiperidine-1-carboxamide has a molecular weight of 266.29 g/mol, XLogP of 0.41, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-3-(difluoromethyl)-4,5-dihydroxypiperidine-1-carboxamide is sourced from PubChem (CID 75631617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).