(5S)-N-butyl-3-(difluoromethyl)-5-hydroxypiperidine-1-carboxamide

C11H20F2N2O2 — CID 126716147

IUPAC(5S)-N-butyl-3-(difluoromethyl)-5-hydroxypiperidine-1-carboxamide
SMILESCCCCNC(=O)N1CC(C(F)F)C[C@H](O)C1
InChIInChI=1S/C11H20F2N2O2/c1-2-3-4-14-11(17)15-6-8(10(12)13)5-9(16)7-15/h8-10,16H,2-7H2,1H3,(H,14,17)/t8?,9-/m0/s1
InChIKeyIUHJFGFNVFDURI-GKAPJAKFSA-N
MW250.29 g/mol
LogP1.44
Rot. Bonds4

About (5S)-N-butyl-3-(difluoromethyl)-5-hydroxypiperidine-1-carboxamide

(5S)-N-butyl-3-(difluoromethyl)-5-hydroxypiperidine-1-carboxamide (PubChem CID 126716147) has the molecular formula C11H20F2N2O2 and a molecular weight of 250.29 g/mol. Its IUPAC name is (5S)-N-butyl-3-(difluoromethyl)-5-hydroxypiperidine-1-carboxamide.

Molecular Properties

Compound Name(5S)-N-butyl-3-(difluoromethyl)-5-hydroxypiperidine-1-carboxamide
PubChem CID126716147
Molecular FormulaC11H20F2N2O2
Molecular Weight250.29 g/mol
Exact Mass250.15
IUPAC Name(5S)-N-butyl-3-(difluoromethyl)-5-hydroxypiperidine-1-carboxamide
SMILESCCCCNC(=O)N1CC(C(F)F)C[C@H](O)C1
InChIInChI=1S/C11H20F2N2O2/c1-2-3-4-14-11(17)15-6-8(10(12)13)5-9(16)7-15/h8-10,16H,2-7H2,1H3,(H,14,17)/t8?,9-/m0/s1
InChIKeyIUHJFGFNVFDURI-GKAPJAKFSA-N
XLogP1.44
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.29
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2,2-difluoroethyl)-3-methoxypiperidine-1-carboxamide
CID 118740666
1-[2-Hydroxy-3-(4-methylpiperidin-1-yl)propyl]-3-(2,2,2-trifluoroethyl)urea
CID 53616052
N-(oxolan-2-ylmethyl)-4-(2,2,2-trifluoro-1-hydroxyethyl)piperidine-1-carboxamide
CID 75427473
1-[(2S)-1-hydroxypropan-2-yl]-3-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]urea
CID 91650241
N,N-diethyl-4-[(1S)-2,2,2-trifluoro-1-hydroxyethyl]piperidine-1-carboxamide
CID 97239660
(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
N-butyl-3-(difluoromethyl)-4,5-dihydroxypiperidine-1-carboxamide
CID 75631617
2,2,2-trifluoro-N-[2-hydroxy-2-(1-methylpiperidin-4-yl)ethyl]acetamide
CID 117855109

Frequently Asked Questions

What is the IUPAC name of (5S)-N-butyl-3-(difluoromethyl)-5-hydroxypiperidine-1-carboxamide?
The IUPAC name of (5S)-N-butyl-3-(difluoromethyl)-5-hydroxypiperidine-1-carboxamide (CID 126716147) is (5S)-N-butyl-3-(difluoromethyl)-5-hydroxypiperidine-1-carboxamide.
What is the SMILES notation for (5S)-N-butyl-3-(difluoromethyl)-5-hydroxypiperidine-1-carboxamide?
The canonical SMILES for (5S)-N-butyl-3-(difluoromethyl)-5-hydroxypiperidine-1-carboxamide is CCCCNC(=O)N1CC(C(F)F)C[C@H](O)C1.
What is the InChIKey of (5S)-N-butyl-3-(difluoromethyl)-5-hydroxypiperidine-1-carboxamide?
The InChIKey is IUHJFGFNVFDURI-GKAPJAKFSA-N. The full InChI is InChI=1S/C11H20F2N2O2/c1-2-3-4-14-11(17)15-6-8(10(12)13)5-9(16)7-15/h8-10,16H,2-7H2,1H3,(H,14,17)/t8?,9-/m0/s1.
What are the key properties of (5S)-N-butyl-3-(difluoromethyl)-5-hydroxypiperidine-1-carboxamide?
(5S)-N-butyl-3-(difluoromethyl)-5-hydroxypiperidine-1-carboxamide has a molecular weight of 250.29 g/mol, XLogP of 1.44, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-N-butyl-3-(difluoromethyl)-5-hydroxypiperidine-1-carboxamide is sourced from PubChem (CID 126716147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).