4-pyridin-4-yl-N-[4-(2,2,2-trifluoroethoxy)phenyl]piperazine-1-carboxamide

C18H19F3N4O2 — CID 86988135

IUPAC4-pyridin-4-yl-N-[4-(2,2,2-trifluoroethoxy)phenyl]piperazine-1-carboxamide
SMILESO=C(Nc1ccc(OCC(F)(F)F)cc1)N1CCN(c2ccncc2)CC1
InChIInChI=1S/C18H19F3N4O2/c19-18(20,21)13-27-16-3-1-14(2-4-16)23-17(26)25-11-9-24(10-12-25)15-5-7-22-8-6-15/h1-8H,9-13H2,(H,23,26)
InChIKeyMSYQYUNTVAWXRP-UHFFFAOYSA-N
MW380.37 g/mol
LogP3.38
Rot. Bonds4

About 4-pyridin-4-yl-N-[4-(2,2,2-trifluoroethoxy)phenyl]piperazine-1-carboxamide

4-pyridin-4-yl-N-[4-(2,2,2-trifluoroethoxy)phenyl]piperazine-1-carboxamide (PubChem CID 86988135) has the molecular formula C18H19F3N4O2 and a molecular weight of 380.37 g/mol. Its IUPAC name is 4-pyridin-4-yl-N-[4-(2,2,2-trifluoroethoxy)phenyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-pyridin-4-yl-N-[4-(2,2,2-trifluoroethoxy)phenyl]piperazine-1-carboxamide
PubChem CID86988135
Molecular FormulaC18H19F3N4O2
Molecular Weight380.37 g/mol
Exact Mass380.15
IUPAC Name4-pyridin-4-yl-N-[4-(2,2,2-trifluoroethoxy)phenyl]piperazine-1-carboxamide
SMILESO=C(Nc1ccc(OCC(F)(F)F)cc1)N1CCN(c2ccncc2)CC1
InChIInChI=1S/C18H19F3N4O2/c19-18(20,21)13-27-16-3-1-14(2-4-16)23-17(26)25-11-9-24(10-12-25)15-5-7-22-8-6-15/h1-8H,9-13H2,(H,23,26)
InChIKeyMSYQYUNTVAWXRP-UHFFFAOYSA-N
XLogP3.38
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.37
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-ethoxyphenyl)-4-pyridin-4-ylpiperazine-1-carboxamide
CID 86986398
1-[[4-(2,2,2-trifluoroethoxy)phenyl]carbamoyl]piperidine-4-carboxylic acid
CID 122075150
N-(4-acetylphenyl)-4-pyridin-4-ylpiperazine-1-carboxamide
CID 86920409
4-pyridin-4-yl-N-(2,2,2-trifluoroethyl)piperazine-1-carboxamide
CID 47016737
4-(4-fluorophenyl)-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 4614489
N-(3,4-dimethoxyphenyl)-4-pyridin-4-ylpiperazine-1-carboxamide
CID 86986916
(3S)-3-(methoxymethyl)-N-[4-(2,2,2-trifluoroethoxy)phenyl]piperidine-1-carboxamide
CID 95768258
4-(4-methoxyphenyl)-N-[4-(trifluoromethoxy)phenyl]piperazine-1-carboxamide
CID 3867518
N-(4-ethoxyphenyl)-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide
CID 122176304
4-(4-ethoxyphenyl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide
CID 113112384
N-[4-(trifluoromethyl)phenyl]-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide
CID 11430023
4-(3-fluoro-2-pyridinyl)-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 10172493

Frequently Asked Questions

What is the IUPAC name of 4-pyridin-4-yl-N-[4-(2,2,2-trifluoroethoxy)phenyl]piperazine-1-carboxamide?
The IUPAC name of 4-pyridin-4-yl-N-[4-(2,2,2-trifluoroethoxy)phenyl]piperazine-1-carboxamide (CID 86988135) is 4-pyridin-4-yl-N-[4-(2,2,2-trifluoroethoxy)phenyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-pyridin-4-yl-N-[4-(2,2,2-trifluoroethoxy)phenyl]piperazine-1-carboxamide?
The canonical SMILES for 4-pyridin-4-yl-N-[4-(2,2,2-trifluoroethoxy)phenyl]piperazine-1-carboxamide is O=C(Nc1ccc(OCC(F)(F)F)cc1)N1CCN(c2ccncc2)CC1.
What is the InChIKey of 4-pyridin-4-yl-N-[4-(2,2,2-trifluoroethoxy)phenyl]piperazine-1-carboxamide?
The InChIKey is MSYQYUNTVAWXRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N4O2/c19-18(20,21)13-27-16-3-1-14(2-4-16)23-17(26)25-11-9-24(10-12-25)15-5-7-22-8-6-15/h1-8H,9-13H2,(H,23,26).
What are the key properties of 4-pyridin-4-yl-N-[4-(2,2,2-trifluoroethoxy)phenyl]piperazine-1-carboxamide?
4-pyridin-4-yl-N-[4-(2,2,2-trifluoroethoxy)phenyl]piperazine-1-carboxamide has a molecular weight of 380.37 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyridin-4-yl-N-[4-(2,2,2-trifluoroethoxy)phenyl]piperazine-1-carboxamide is sourced from PubChem (CID 86988135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).