N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide

C12H14F3N3O — CID 22614394

IUPACN-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide
SMILESO=C(Nc1cccc(C(F)(F)F)c1)N1CCNCC1
InChIInChI=1S/C12H14F3N3O/c13-12(14,15)9-2-1-3-10(8-9)17-11(19)18-6-4-16-5-7-18/h1-3,8,16H,4-7H2,(H,17,19)
InChIKeyNXZKKDNKJPWQIA-UHFFFAOYSA-N
MW273.26 g/mol
LogP2.14
Rot. Bonds1

About N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide

N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide (PubChem CID 22614394) has the molecular formula C12H14F3N3O and a molecular weight of 273.26 g/mol. Its IUPAC name is N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide
PubChem CID22614394
Molecular FormulaC12H14F3N3O
Molecular Weight273.26 g/mol
Exact Mass273.11
IUPAC NameN-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide
SMILESO=C(Nc1cccc(C(F)(F)F)c1)N1CCNCC1
InChIInChI=1S/C12H14F3N3O/c13-12(14,15)9-2-1-3-10(8-9)17-11(19)18-6-4-16-5-7-18/h1-3,8,16H,4-7H2,(H,17,19)
InChIKeyNXZKKDNKJPWQIA-UHFFFAOYSA-N
XLogP2.14
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.26
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-hydroxy-N-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 4251973
N,4-bis[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 162535440
4-ethyl-N-[3-(trifluoromethyl)phenyl]piperazin-4-ium-1-carboxamide
CID 7165092
ethyl 4-[[3-(trifluoromethyl)phenyl]carbamoyl]piperazine-1-carboxylate
CID 3784054
4-(4-hydroxyphenyl)-N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 4129039
4-butyl-N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 17185768
N-(2-piperazin-1-ylethyl)-N'-[3-(trifluoromethyl)phenyl]oxamide
CID 108501365
1,1-dioxo-N-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]-1,4-thiazinane-4-carboxamide
CID 56583962
4-(4-acetylphenyl)-N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 2210407
3-(methylamino)-N-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 62536564
4-[(2-chloro-6-fluorophenyl)methyl]-N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 19293560
3-acetamido-N-[3-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide
CID 72862706

Frequently Asked Questions

What is the IUPAC name of N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide?
The IUPAC name of N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide (CID 22614394) is N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide.
What is the SMILES notation for N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide?
The canonical SMILES for N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide is O=C(Nc1cccc(C(F)(F)F)c1)N1CCNCC1.
What is the InChIKey of N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide?
The InChIKey is NXZKKDNKJPWQIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3N3O/c13-12(14,15)9-2-1-3-10(8-9)17-11(19)18-6-4-16-5-7-18/h1-3,8,16H,4-7H2,(H,17,19).
What are the key properties of N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide?
N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide has a molecular weight of 273.26 g/mol, XLogP of 2.14, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide is sourced from PubChem (CID 22614394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).