7-[4-[2-(5-fluoro-2-pyridinyl)ethyl]piperazin-1-yl]-N,N-dimethyl-1-benzofuran-2-carboxamide

C22H25FN4O2 — CID 59636731

IUPAC7-[4-[2-(5-fluoro-2-pyridinyl)ethyl]piperazin-1-yl]-N,N-dimethyl-1-benzofuran-2-carboxamide
SMILESCN(C)C(=O)c1cc2cccc(N3CCN(CCc4ccc(F)cn4)CC3)c2o1
InChIInChI=1S/C22H25FN4O2/c1-25(2)22(28)20-14-16-4-3-5-19(21(16)29-20)27-12-10-26(11-13-27)9-8-18-7-6-17(23)15-24-18/h3-7,14-15H,8-13H2,1-2H3
InChIKeyJYXZCGMXPABTBZ-UHFFFAOYSA-N
MW396.47 g/mol
LogP3.03
Rot. Bonds5

About 7-[4-[2-(5-fluoro-2-pyridinyl)ethyl]piperazin-1-yl]-N,N-dimethyl-1-benzofuran-2-carboxamide

7-[4-[2-(5-fluoro-2-pyridinyl)ethyl]piperazin-1-yl]-N,N-dimethyl-1-benzofuran-2-carboxamide (PubChem CID 59636731) has the molecular formula C22H25FN4O2 and a molecular weight of 396.47 g/mol. Its IUPAC name is 7-[4-[2-(5-fluoro-2-pyridinyl)ethyl]piperazin-1-yl]-N,N-dimethyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name7-[4-[2-(5-fluoro-2-pyridinyl)ethyl]piperazin-1-yl]-N,N-dimethyl-1-benzofuran-2-carboxamide
PubChem CID59636731
Molecular FormulaC22H25FN4O2
Molecular Weight396.47 g/mol
Exact Mass396.20
IUPAC Name7-[4-[2-(5-fluoro-2-pyridinyl)ethyl]piperazin-1-yl]-N,N-dimethyl-1-benzofuran-2-carboxamide
SMILESCN(C)C(=O)c1cc2cccc(N3CCN(CCc4ccc(F)cn4)CC3)c2o1
InChIInChI=1S/C22H25FN4O2/c1-25(2)22(28)20-14-16-4-3-5-19(21(16)29-20)27-12-10-26(11-13-27)9-8-18-7-6-17(23)15-24-18/h3-7,14-15H,8-13H2,1-2H3
InChIKeyJYXZCGMXPABTBZ-UHFFFAOYSA-N
XLogP3.03
TPSA52.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.47
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-[4-[2-(5-fluoro-2-pyridinyl)ethyl]piperazin-1-yl]-N,N-dimethyl-1-benzofuran-2-carboxamide?
The IUPAC name of 7-[4-[2-(5-fluoro-2-pyridinyl)ethyl]piperazin-1-yl]-N,N-dimethyl-1-benzofuran-2-carboxamide (CID 59636731) is 7-[4-[2-(5-fluoro-2-pyridinyl)ethyl]piperazin-1-yl]-N,N-dimethyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for 7-[4-[2-(5-fluoro-2-pyridinyl)ethyl]piperazin-1-yl]-N,N-dimethyl-1-benzofuran-2-carboxamide?
The canonical SMILES for 7-[4-[2-(5-fluoro-2-pyridinyl)ethyl]piperazin-1-yl]-N,N-dimethyl-1-benzofuran-2-carboxamide is CN(C)C(=O)c1cc2cccc(N3CCN(CCc4ccc(F)cn4)CC3)c2o1.
What is the InChIKey of 7-[4-[2-(5-fluoro-2-pyridinyl)ethyl]piperazin-1-yl]-N,N-dimethyl-1-benzofuran-2-carboxamide?
The InChIKey is JYXZCGMXPABTBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN4O2/c1-25(2)22(28)20-14-16-4-3-5-19(21(16)29-20)27-12-10-26(11-13-27)9-8-18-7-6-17(23)15-24-18/h3-7,14-15H,8-13H2,1-2H3.
What are the key properties of 7-[4-[2-(5-fluoro-2-pyridinyl)ethyl]piperazin-1-yl]-N,N-dimethyl-1-benzofuran-2-carboxamide?
7-[4-[2-(5-fluoro-2-pyridinyl)ethyl]piperazin-1-yl]-N,N-dimethyl-1-benzofuran-2-carboxamide has a molecular weight of 396.47 g/mol, XLogP of 3.03, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-[2-(5-fluoro-2-pyridinyl)ethyl]piperazin-1-yl]-N,N-dimethyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 59636731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).