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

C18H19F3N4O2 — CID 3245073

IUPACN-(3-methoxyphenyl)-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide
SMILESCOc1cccc(NC(=O)N2CCN(c3ccc(C(F)(F)F)cn3)CC2)c1
InChIInChI=1S/C18H19F3N4O2/c1-27-15-4-2-3-14(11-15)23-17(26)25-9-7-24(8-10-25)16-6-5-13(12-22-16)18(19,20)21/h2-6,11-12H,7-10H2,1H3,(H,23,26)
InChIKeyFBNQJCMFBUWHMY-UHFFFAOYSA-N
MW380.37 g/mol
LogP3.46
Rot. Bonds3

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

N-(3-methoxyphenyl)-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide (PubChem CID 3245073) has the molecular formula C18H19F3N4O2 and a molecular weight of 380.37 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide
PubChem CID3245073
Molecular FormulaC18H19F3N4O2
Molecular Weight380.37 g/mol
Exact Mass380.15
IUPAC NameN-(3-methoxyphenyl)-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide
SMILESCOc1cccc(NC(=O)N2CCN(c3ccc(C(F)(F)F)cn3)CC2)c1
InChIInChI=1S/C18H19F3N4O2/c1-27-15-4-2-3-14(11-15)23-17(26)25-9-7-24(8-10-25)16-6-5-13(12-22-16)18(19,20)21/h2-6,11-12H,7-10H2,1H3,(H,23,26)
InChIKeyFBNQJCMFBUWHMY-UHFFFAOYSA-N
XLogP3.46
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.37
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide?
The IUPAC name of N-(3-methoxyphenyl)-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide (CID 3245073) is N-(3-methoxyphenyl)-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide.
What is the SMILES notation for N-(3-methoxyphenyl)-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide?
The canonical SMILES for N-(3-methoxyphenyl)-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide is COc1cccc(NC(=O)N2CCN(c3ccc(C(F)(F)F)cn3)CC2)c1.
What is the InChIKey of N-(3-methoxyphenyl)-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide?
The InChIKey is FBNQJCMFBUWHMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N4O2/c1-27-15-4-2-3-14(11-15)23-17(26)25-9-7-24(8-10-25)16-6-5-13(12-22-16)18(19,20)21/h2-6,11-12H,7-10H2,1H3,(H,23,26).
What are the key properties of N-(3-methoxyphenyl)-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide?
N-(3-methoxyphenyl)-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide has a molecular weight of 380.37 g/mol, XLogP of 3.46, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide is sourced from PubChem (CID 3245073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).