N,1-ditert-butyl-3,3-difluoropiperidine-4-carboxamide

C14H26F2N2O — CID 171406675

IUPACN,1-ditert-butyl-3,3-difluoropiperidine-4-carboxamide
SMILESCC(C)(C)NC(=O)C1CCN(C(C)(C)C)CC1(F)F
InChIInChI=1S/C14H26F2N2O/c1-12(2,3)17-11(19)10-7-8-18(13(4,5)6)9-14(10,15)16/h10H,7-9H2,1-6H3,(H,17,19)
InChIKeyUTWUSTUTCCMJOZ-UHFFFAOYSA-N
MW276.37 g/mol
LogP2.66
Rot. Bonds1

About N,1-ditert-butyl-3,3-difluoropiperidine-4-carboxamide

N,1-ditert-butyl-3,3-difluoropiperidine-4-carboxamide (PubChem CID 171406675) has the molecular formula C14H26F2N2O and a molecular weight of 276.37 g/mol. Its IUPAC name is N,1-ditert-butyl-3,3-difluoropiperidine-4-carboxamide.

Molecular Properties

Compound NameN,1-ditert-butyl-3,3-difluoropiperidine-4-carboxamide
PubChem CID171406675
Molecular FormulaC14H26F2N2O
Molecular Weight276.37 g/mol
Exact Mass276.20
IUPAC NameN,1-ditert-butyl-3,3-difluoropiperidine-4-carboxamide
SMILESCC(C)(C)NC(=O)C1CCN(C(C)(C)C)CC1(F)F
InChIInChI=1S/C14H26F2N2O/c1-12(2,3)17-11(19)10-7-8-18(13(4,5)6)9-14(10,15)16/h10H,7-9H2,1-6H3,(H,17,19)
InChIKeyUTWUSTUTCCMJOZ-UHFFFAOYSA-N
XLogP2.66
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.37
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-Diethyl-4-piperidinecarboxamide
CID 410920
N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide hydrochloride
CID 42933701
N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
CID 16228133
N,N-bis(propan-2-yl)piperidine-4-carboxamide
CID 22959054
N,1-diisobutyl-4-piperidinecarboxamide oxalate
CID 883892
1-butanoyl-N-tert-butylpiperidine-4-carboxamide
CID 45596615
N-[2-[cyclopropyl(methyl)amino]ethyl]-1-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
CID 47939374
N-methyl-2-[1-(3,3,3-trifluoropropyl)piperidin-4-yl]acetamide
CID 50968311
1-(2,2-difluoroethyl)-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
CID 100610907
1-(4,4,4-Trifluorobutyl)-piperidine-4-carboxamide
CID 18678407
1-(3,3,3-Trifluoropropyl)-piperidine-4-carboxamide
CID 18678470
2,2,2-trifluoro-N-(2-piperidin-1-ium-4-ylpropan-2-yl)acetamide
CID 21036994

Frequently Asked Questions

What is the IUPAC name of N,1-ditert-butyl-3,3-difluoropiperidine-4-carboxamide?
The IUPAC name of N,1-ditert-butyl-3,3-difluoropiperidine-4-carboxamide (CID 171406675) is N,1-ditert-butyl-3,3-difluoropiperidine-4-carboxamide.
What is the SMILES notation for N,1-ditert-butyl-3,3-difluoropiperidine-4-carboxamide?
The canonical SMILES for N,1-ditert-butyl-3,3-difluoropiperidine-4-carboxamide is CC(C)(C)NC(=O)C1CCN(C(C)(C)C)CC1(F)F.
What is the InChIKey of N,1-ditert-butyl-3,3-difluoropiperidine-4-carboxamide?
The InChIKey is UTWUSTUTCCMJOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26F2N2O/c1-12(2,3)17-11(19)10-7-8-18(13(4,5)6)9-14(10,15)16/h10H,7-9H2,1-6H3,(H,17,19).
What are the key properties of N,1-ditert-butyl-3,3-difluoropiperidine-4-carboxamide?
N,1-ditert-butyl-3,3-difluoropiperidine-4-carboxamide has a molecular weight of 276.37 g/mol, XLogP of 2.66, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-ditert-butyl-3,3-difluoropiperidine-4-carboxamide is sourced from PubChem (CID 171406675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).