4-ethyl-N-[3-(trifluoromethyl)phenyl]piperazin-4-ium-1-carboxamide

C14H19F3N3O+ — CID 7165092

IUPAC4-ethyl-N-[3-(trifluoromethyl)phenyl]piperazin-4-ium-1-carboxamide
SMILESCC[NH+]1CCN(C(=O)Nc2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C14H18F3N3O/c1-2-19-6-8-20(9-7-19)13(21)18-12-5-3-4-11(10-12)14(15,16)17/h3-5,10H,2,6-9H2,1H3,(H,18,21)/p+1
InChIKeyMNZOYOIUZVPTBY-UHFFFAOYSA-O
MW302.32 g/mol
LogP1.46
Rot. Bonds2

About 4-ethyl-N-[3-(trifluoromethyl)phenyl]piperazin-4-ium-1-carboxamide

4-ethyl-N-[3-(trifluoromethyl)phenyl]piperazin-4-ium-1-carboxamide (PubChem CID 7165092) has the molecular formula C14H19F3N3O+ and a molecular weight of 302.32 g/mol. Its IUPAC name is 4-ethyl-N-[3-(trifluoromethyl)phenyl]piperazin-4-ium-1-carboxamide.

Molecular Properties

Compound Name4-ethyl-N-[3-(trifluoromethyl)phenyl]piperazin-4-ium-1-carboxamide
PubChem CID7165092
Molecular FormulaC14H19F3N3O+
Molecular Weight302.32 g/mol
Exact Mass302.15
IUPAC Name4-ethyl-N-[3-(trifluoromethyl)phenyl]piperazin-4-ium-1-carboxamide
SMILESCC[NH+]1CCN(C(=O)Nc2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C14H18F3N3O/c1-2-19-6-8-20(9-7-19)13(21)18-12-5-3-4-11(10-12)14(15,16)17/h3-5,10H,2,6-9H2,1H3,(H,18,21)/p+1
InChIKeyMNZOYOIUZVPTBY-UHFFFAOYSA-O
XLogP1.46
TPSA36.78 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.32
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

ethyl 4-[[3-(trifluoromethyl)phenyl]carbamoyl]piperazine-1-carboxylate
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N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide
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4-(4-acetylphenyl)-N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 2210407
3-[bis(2-hydroxyethyl)amino]-N-[3-(trifluoromethyl)phenyl]azetidine-1-carboxamide
CID 23140293
3-(methylamino)-N-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 62536564
4-[(2-chloro-6-fluorophenyl)methyl]-N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-[3-(trifluoromethyl)phenyl]piperazin-4-ium-1-carboxamide?
The IUPAC name of 4-ethyl-N-[3-(trifluoromethyl)phenyl]piperazin-4-ium-1-carboxamide (CID 7165092) is 4-ethyl-N-[3-(trifluoromethyl)phenyl]piperazin-4-ium-1-carboxamide.
What is the SMILES notation for 4-ethyl-N-[3-(trifluoromethyl)phenyl]piperazin-4-ium-1-carboxamide?
The canonical SMILES for 4-ethyl-N-[3-(trifluoromethyl)phenyl]piperazin-4-ium-1-carboxamide is CC[NH+]1CCN(C(=O)Nc2cccc(C(F)(F)F)c2)CC1.
What is the InChIKey of 4-ethyl-N-[3-(trifluoromethyl)phenyl]piperazin-4-ium-1-carboxamide?
The InChIKey is MNZOYOIUZVPTBY-UHFFFAOYSA-O. The full InChI is InChI=1S/C14H18F3N3O/c1-2-19-6-8-20(9-7-19)13(21)18-12-5-3-4-11(10-12)14(15,16)17/h3-5,10H,2,6-9H2,1H3,(H,18,21)/p+1.
What are the key properties of 4-ethyl-N-[3-(trifluoromethyl)phenyl]piperazin-4-ium-1-carboxamide?
4-ethyl-N-[3-(trifluoromethyl)phenyl]piperazin-4-ium-1-carboxamide has a molecular weight of 302.32 g/mol, XLogP of 1.46, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-[3-(trifluoromethyl)phenyl]piperazin-4-ium-1-carboxamide is sourced from PubChem (CID 7165092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).