4,4-difluoro-N-[(2R)-3-methylbutan-2-yl]piperidine-1-carboxamide

C11H20F2N2O — CID 167135253

IUPAC4,4-difluoro-N-[(2R)-3-methylbutan-2-yl]piperidine-1-carboxamide
SMILESCC(C)[C@@H](C)NC(=O)N1CCC(F)(F)CC1
InChIInChI=1S/C11H20F2N2O/c1-8(2)9(3)14-10(16)15-6-4-11(12,13)5-7-15/h8-9H,4-7H2,1-3H3,(H,14,16)/t9-/m1/s1
InChIKeyJBCPXRWCEIGVLY-SECBINFHSA-N
MW234.29 g/mol
LogP2.47
Rot. Bonds2

About 4,4-difluoro-N-[(2R)-3-methylbutan-2-yl]piperidine-1-carboxamide

4,4-difluoro-N-[(2R)-3-methylbutan-2-yl]piperidine-1-carboxamide (PubChem CID 167135253) has the molecular formula C11H20F2N2O and a molecular weight of 234.29 g/mol. Its IUPAC name is 4,4-difluoro-N-[(2R)-3-methylbutan-2-yl]piperidine-1-carboxamide.

Molecular Properties

Compound Name4,4-difluoro-N-[(2R)-3-methylbutan-2-yl]piperidine-1-carboxamide
PubChem CID167135253
Molecular FormulaC11H20F2N2O
Molecular Weight234.29 g/mol
Exact Mass234.15
IUPAC Name4,4-difluoro-N-[(2R)-3-methylbutan-2-yl]piperidine-1-carboxamide
SMILESCC(C)[C@@H](C)NC(=O)N1CCC(F)(F)CC1
InChIInChI=1S/C11H20F2N2O/c1-8(2)9(3)14-10(16)15-6-4-11(12,13)5-7-15/h8-9H,4-7H2,1-3H3,(H,14,16)/t9-/m1/s1
InChIKeyJBCPXRWCEIGVLY-SECBINFHSA-N
XLogP2.47
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.29
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(1,1,1,3,3,3-hexafluoropropan-2-yl)-4-methylpiperidine-1-carboxamide
CID 935326
N-(2,2-difluoroethyl)-3-methylpiperidine-1-carboxamide
CID 84595795
N-[1,1-bis(trifluoromethyl)propyl]-4-methyl-1-piperidinecarboximidic acid
CID 671812
N-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)piperidine-1-carboxamide
CID 3473547
N-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-4-methylpiperidine-1-carboxamide
CID 11616479
4-amino-N-tert-butylpiperidine-1-carboxamide
CID 28785595
3,3-Dimethyl-1-((1-methylpiperidin-4-yl)methyl)urea
CID 112688391
3,3-Dimethyl-1-[(1-methylpiperidin-3-yl)methyl]urea
CID 112690170
N-butyl-4-methylpiperidine-1-carboxamide
CID 6467412
N-cyclohexyl-4-methylpiperidine-1-carboxamide
CID 4207227
N-butyl-3,5-dimethyl-1-piperidinecarboxamide
CID 2926433
N-(2-methylpropyl)piperidine-1-carboxamide
CID 57968838

Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-N-[(2R)-3-methylbutan-2-yl]piperidine-1-carboxamide?
The IUPAC name of 4,4-difluoro-N-[(2R)-3-methylbutan-2-yl]piperidine-1-carboxamide (CID 167135253) is 4,4-difluoro-N-[(2R)-3-methylbutan-2-yl]piperidine-1-carboxamide.
What is the SMILES notation for 4,4-difluoro-N-[(2R)-3-methylbutan-2-yl]piperidine-1-carboxamide?
The canonical SMILES for 4,4-difluoro-N-[(2R)-3-methylbutan-2-yl]piperidine-1-carboxamide is CC(C)[C@@H](C)NC(=O)N1CCC(F)(F)CC1.
What is the InChIKey of 4,4-difluoro-N-[(2R)-3-methylbutan-2-yl]piperidine-1-carboxamide?
The InChIKey is JBCPXRWCEIGVLY-SECBINFHSA-N. The full InChI is InChI=1S/C11H20F2N2O/c1-8(2)9(3)14-10(16)15-6-4-11(12,13)5-7-15/h8-9H,4-7H2,1-3H3,(H,14,16)/t9-/m1/s1.
What are the key properties of 4,4-difluoro-N-[(2R)-3-methylbutan-2-yl]piperidine-1-carboxamide?
4,4-difluoro-N-[(2R)-3-methylbutan-2-yl]piperidine-1-carboxamide has a molecular weight of 234.29 g/mol, XLogP of 2.47, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-N-[(2R)-3-methylbutan-2-yl]piperidine-1-carboxamide is sourced from PubChem (CID 167135253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).