4-(trifluoromethyl)piperidine-4-carboxamide

C7H11F3N2O — CID 82606523

IUPAC4-(trifluoromethyl)piperidine-4-carboxamide
SMILESNC(=O)C1(C(F)(F)F)CCNCC1
InChIInChI=1S/C7H11F3N2O/c8-7(9,10)6(5(11)13)1-3-12-4-2-6/h12H,1-4H2,(H2,11,13)
InChIKeyIRLRUJCJGIUAOF-UHFFFAOYSA-N
MW196.17 g/mol
LogP0.40
Rot. Bonds1

About 4-(trifluoromethyl)piperidine-4-carboxamide

4-(trifluoromethyl)piperidine-4-carboxamide (PubChem CID 82606523) has the molecular formula C7H11F3N2O and a molecular weight of 196.17 g/mol. Its IUPAC name is 4-(trifluoromethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name4-(trifluoromethyl)piperidine-4-carboxamide
PubChem CID82606523
Molecular FormulaC7H11F3N2O
Molecular Weight196.17 g/mol
Exact Mass196.08
IUPAC Name4-(trifluoromethyl)piperidine-4-carboxamide
SMILESNC(=O)C1(C(F)(F)F)CCNCC1
InChIInChI=1S/C7H11F3N2O/c8-7(9,10)6(5(11)13)1-3-12-4-2-6/h12H,1-4H2,(H2,11,13)
InChIKeyIRLRUJCJGIUAOF-UHFFFAOYSA-N
XLogP0.40
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.17
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-Piperidinecarboxamide
CID 3772
N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide hydrochloride
CID 42933701
4-Methylpiperidine-4-carboxamide hydrochloride
CID 67506369
N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
CID 16228133
1,1-Difluoro-6-azaspiro(2.5)octan-5-one
CID 136576382
1-(2,2-difluoroethyl)-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
CID 100610907
1-(3,3,3-Trifluoropropyl)-piperidine-4-carboxamide
CID 18678470
2,2,2-trifluoro-N-[(4-methylpiperidin-4-yl)methyl]acetamide
CID 21036997
4-Methylpiperidine-4-carboxamide
CID 21187462
4-ethyl-N-(3,3,3-trifluoropropyl)piperidine-4-carboxamide
CID 55174367
N-methyl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
CID 60892543
4-methyl-N-(3,3,3-trifluoropropyl)piperidine-4-carboxamide
CID 63226854

Frequently Asked Questions

What is the IUPAC name of 4-(trifluoromethyl)piperidine-4-carboxamide?
The IUPAC name of 4-(trifluoromethyl)piperidine-4-carboxamide (CID 82606523) is 4-(trifluoromethyl)piperidine-4-carboxamide.
What is the SMILES notation for 4-(trifluoromethyl)piperidine-4-carboxamide?
The canonical SMILES for 4-(trifluoromethyl)piperidine-4-carboxamide is NC(=O)C1(C(F)(F)F)CCNCC1.
What is the InChIKey of 4-(trifluoromethyl)piperidine-4-carboxamide?
The InChIKey is IRLRUJCJGIUAOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F3N2O/c8-7(9,10)6(5(11)13)1-3-12-4-2-6/h12H,1-4H2,(H2,11,13).
What are the key properties of 4-(trifluoromethyl)piperidine-4-carboxamide?
4-(trifluoromethyl)piperidine-4-carboxamide has a molecular weight of 196.17 g/mol, XLogP of 0.40, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(trifluoromethyl)piperidine-4-carboxamide is sourced from PubChem (CID 82606523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).