N,N-dimethyl-7-[4-[2-[6-(trifluoromethyl)-2-pyridinyl]ethyl]piperazin-1-yl]-1-benzofuran-2-carboxamide

C23H25F3N4O2 — CID 59636779

IUPACN,N-dimethyl-7-[4-[2-[6-(trifluoromethyl)-2-pyridinyl]ethyl]piperazin-1-yl]-1-benzofuran-2-carboxamide
SMILESCN(C)C(=O)c1cc2cccc(N3CCN(CCc4cccc(C(F)(F)F)n4)CC3)c2o1
InChIInChI=1S/C23H25F3N4O2/c1-28(2)22(31)19-15-16-5-3-7-18(21(16)32-19)30-13-11-29(12-14-30)10-9-17-6-4-8-20(27-17)23(24,25)26/h3-8,15H,9-14H2,1-2H3
InChIKeyKIBCJAHEQRCNSO-UHFFFAOYSA-N
MW446.47 g/mol
LogP3.91
Rot. Bonds5

About N,N-dimethyl-7-[4-[2-[6-(trifluoromethyl)-2-pyridinyl]ethyl]piperazin-1-yl]-1-benzofuran-2-carboxamide

N,N-dimethyl-7-[4-[2-[6-(trifluoromethyl)-2-pyridinyl]ethyl]piperazin-1-yl]-1-benzofuran-2-carboxamide (PubChem CID 59636779) has the molecular formula C23H25F3N4O2 and a molecular weight of 446.47 g/mol. Its IUPAC name is N,N-dimethyl-7-[4-[2-[6-(trifluoromethyl)-2-pyridinyl]ethyl]piperazin-1-yl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-7-[4-[2-[6-(trifluoromethyl)-2-pyridinyl]ethyl]piperazin-1-yl]-1-benzofuran-2-carboxamide
PubChem CID59636779
Molecular FormulaC23H25F3N4O2
Molecular Weight446.47 g/mol
Exact Mass446.19
IUPAC NameN,N-dimethyl-7-[4-[2-[6-(trifluoromethyl)-2-pyridinyl]ethyl]piperazin-1-yl]-1-benzofuran-2-carboxamide
SMILESCN(C)C(=O)c1cc2cccc(N3CCN(CCc4cccc(C(F)(F)F)n4)CC3)c2o1
InChIInChI=1S/C23H25F3N4O2/c1-28(2)22(31)19-15-16-5-3-7-18(21(16)32-19)30-13-11-29(12-14-30)10-9-17-6-4-8-20(27-17)23(24,25)26/h3-8,15H,9-14H2,1-2H3
InChIKeyKIBCJAHEQRCNSO-UHFFFAOYSA-N
XLogP3.91
TPSA52.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.47
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-7-[4-[2-[6-(trifluoromethyl)-2-pyridinyl]ethyl]piperazin-1-yl]-1-benzofuran-2-carboxamide?
The IUPAC name of N,N-dimethyl-7-[4-[2-[6-(trifluoromethyl)-2-pyridinyl]ethyl]piperazin-1-yl]-1-benzofuran-2-carboxamide (CID 59636779) is N,N-dimethyl-7-[4-[2-[6-(trifluoromethyl)-2-pyridinyl]ethyl]piperazin-1-yl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for N,N-dimethyl-7-[4-[2-[6-(trifluoromethyl)-2-pyridinyl]ethyl]piperazin-1-yl]-1-benzofuran-2-carboxamide?
The canonical SMILES for N,N-dimethyl-7-[4-[2-[6-(trifluoromethyl)-2-pyridinyl]ethyl]piperazin-1-yl]-1-benzofuran-2-carboxamide is CN(C)C(=O)c1cc2cccc(N3CCN(CCc4cccc(C(F)(F)F)n4)CC3)c2o1.
What is the InChIKey of N,N-dimethyl-7-[4-[2-[6-(trifluoromethyl)-2-pyridinyl]ethyl]piperazin-1-yl]-1-benzofuran-2-carboxamide?
The InChIKey is KIBCJAHEQRCNSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25F3N4O2/c1-28(2)22(31)19-15-16-5-3-7-18(21(16)32-19)30-13-11-29(12-14-30)10-9-17-6-4-8-20(27-17)23(24,25)26/h3-8,15H,9-14H2,1-2H3.
What are the key properties of N,N-dimethyl-7-[4-[2-[6-(trifluoromethyl)-2-pyridinyl]ethyl]piperazin-1-yl]-1-benzofuran-2-carboxamide?
N,N-dimethyl-7-[4-[2-[6-(trifluoromethyl)-2-pyridinyl]ethyl]piperazin-1-yl]-1-benzofuran-2-carboxamide has a molecular weight of 446.47 g/mol, XLogP of 3.91, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-7-[4-[2-[6-(trifluoromethyl)-2-pyridinyl]ethyl]piperazin-1-yl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 59636779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).