4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide

C11H12ClF3N4O — CID 1486166

IUPAC4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide
SMILESNC(=O)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1
InChIInChI=1S/C11H12ClF3N4O/c12-8-5-7(11(13,14)15)6-17-9(8)18-1-3-19(4-2-18)10(16)20/h5-6H,1-4H2,(H2,16,20)
InChIKeyXHPUMUDCOHXVML-UHFFFAOYSA-N
MW308.69 g/mol
LogP1.95
Rot. Bonds1

About 4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide

4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide (PubChem CID 1486166) has the molecular formula C11H12ClF3N4O and a molecular weight of 308.69 g/mol. Its IUPAC name is 4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide
PubChem CID1486166
Molecular FormulaC11H12ClF3N4O
Molecular Weight308.69 g/mol
Exact Mass308.07
IUPAC Name4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide
SMILESNC(=O)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1
InChIInChI=1S/C11H12ClF3N4O/c12-8-5-7(11(13,14)15)6-17-9(8)18-1-3-19(4-2-18)10(16)20/h5-6H,1-4H2,(H2,16,20)
InChIKeyXHPUMUDCOHXVML-UHFFFAOYSA-N
XLogP1.95
TPSA62.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.69
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-(3,5-dichlorophenyl)methanone
CID 26291024
[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 43000461
[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-(2,2-dichlorocyclopropyl)methanone
CID 78781777
(2S)-2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]propanamide
CID 8908325
[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-(2,6-difluorophenyl)methanone
CID 38682030
(2-chloro-3-pyridinyl)-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone
CID 2766871
(2-aminophenyl)-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone;dihydrochloride
CID 119946107
[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-(3,4-dimethylphenyl)methanone
CID 78781797
[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepan-1-yl]-(3,5-difluorophenyl)methanone
CID 46680026
(2S)-2-(4-chlorophenyl)-2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]acetamide
CID 25385246
(NZ)-N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methylidene]hydroxylamine
CID 135822331
4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazine-1-carboxamide
CID 129105303

Frequently Asked Questions

What is the IUPAC name of 4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide?
The IUPAC name of 4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide (CID 1486166) is 4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide?
The canonical SMILES for 4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide is NC(=O)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1.
What is the InChIKey of 4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide?
The InChIKey is XHPUMUDCOHXVML-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClF3N4O/c12-8-5-7(11(13,14)15)6-17-9(8)18-1-3-19(4-2-18)10(16)20/h5-6H,1-4H2,(H2,16,20).
What are the key properties of 4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide?
4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide has a molecular weight of 308.69 g/mol, XLogP of 1.95, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide is sourced from PubChem (CID 1486166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).