N,4-bis[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide

C20H18F6N2O — CID 162535440

IUPACN,4-bis[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide
SMILESO=C(Nc1cccc(C(F)(F)F)c1)N1CCC(c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C20H18F6N2O/c21-19(22,23)15-4-1-3-14(11-15)13-7-9-28(10-8-13)18(29)27-17-6-2-5-16(12-17)20(24,25)26/h1-6,11-13H,7-10H2,(H,27,29)
InChIKeyMWSSSIWZUREHSQ-UHFFFAOYSA-N
MW416.37 g/mol
LogP6.14
Rot. Bonds2

About N,4-bis[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide

N,4-bis[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide (PubChem CID 162535440) has the molecular formula C20H18F6N2O and a molecular weight of 416.37 g/mol. Its IUPAC name is N,4-bis[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN,4-bis[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide
PubChem CID162535440
Molecular FormulaC20H18F6N2O
Molecular Weight416.37 g/mol
Exact Mass416.13
IUPAC NameN,4-bis[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide
SMILESO=C(Nc1cccc(C(F)(F)F)c1)N1CCC(c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C20H18F6N2O/c21-19(22,23)15-4-1-3-14(11-15)13-7-9-28(10-8-13)18(29)27-17-6-2-5-16(12-17)20(24,25)26/h1-6,11-13H,7-10H2,(H,27,29)
InChIKeyMWSSSIWZUREHSQ-UHFFFAOYSA-N
XLogP6.14
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.37
LogP ≤ 56.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-hydroxy-N-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 4251973
N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 22614394
3-acetamido-N-[3-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide
CID 72862706
4-(propan-2-ylsulfonylamino)-N-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 20628883
3-(methylamino)-N-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 62536564
3-(benzenesulfonyl)-N-[3-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide
CID 71805623
1-N-[3-(trifluoromethyl)phenyl]piperidine-1,3-dicarboxamide
CID 5297464
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
N-phenyl-4-[3-(trifluoromethyl)phenoxy]piperidine-1-carboxamide
CID 12999550
1-methyl-4-[3-(trifluoromethyl)phenyl]piperidine
CID 18722963

Frequently Asked Questions

What is the IUPAC name of N,4-bis[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide?
The IUPAC name of N,4-bis[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide (CID 162535440) is N,4-bis[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide.
What is the SMILES notation for N,4-bis[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide?
The canonical SMILES for N,4-bis[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide is O=C(Nc1cccc(C(F)(F)F)c1)N1CCC(c2cccc(C(F)(F)F)c2)CC1.
What is the InChIKey of N,4-bis[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide?
The InChIKey is MWSSSIWZUREHSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F6N2O/c21-19(22,23)15-4-1-3-14(11-15)13-7-9-28(10-8-13)18(29)27-17-6-2-5-16(12-17)20(24,25)26/h1-6,11-13H,7-10H2,(H,27,29).
What are the key properties of N,4-bis[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide?
N,4-bis[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide has a molecular weight of 416.37 g/mol, XLogP of 6.14, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-bis[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide is sourced from PubChem (CID 162535440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).