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

C23H28N4O3 — CID 59636738

IUPAC7-[4-[2-(4-methoxy-2-pyridinyl)ethyl]piperazin-1-yl]-N,N-dimethyl-1-benzofuran-2-carboxamide
SMILESCOc1ccnc(CCN2CCN(c3cccc4cc(C(=O)N(C)C)oc34)CC2)c1
InChIInChI=1S/C23H28N4O3/c1-25(2)23(28)21-15-17-5-4-6-20(22(17)30-21)27-13-11-26(12-14-27)10-8-18-16-19(29-3)7-9-24-18/h4-7,9,15-16H,8,10-14H2,1-3H3
InChIKeyCAXWOPIXKUGWBU-UHFFFAOYSA-N
MW408.50 g/mol
LogP2.90
Rot. Bonds6

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

7-[4-[2-(4-methoxy-2-pyridinyl)ethyl]piperazin-1-yl]-N,N-dimethyl-1-benzofuran-2-carboxamide (PubChem CID 59636738) has the molecular formula C23H28N4O3 and a molecular weight of 408.50 g/mol. Its IUPAC name is 7-[4-[2-(4-methoxy-2-pyridinyl)ethyl]piperazin-1-yl]-N,N-dimethyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name7-[4-[2-(4-methoxy-2-pyridinyl)ethyl]piperazin-1-yl]-N,N-dimethyl-1-benzofuran-2-carboxamide
PubChem CID59636738
Molecular FormulaC23H28N4O3
Molecular Weight408.50 g/mol
Exact Mass408.22
IUPAC Name7-[4-[2-(4-methoxy-2-pyridinyl)ethyl]piperazin-1-yl]-N,N-dimethyl-1-benzofuran-2-carboxamide
SMILESCOc1ccnc(CCN2CCN(c3cccc4cc(C(=O)N(C)C)oc34)CC2)c1
InChIInChI=1S/C23H28N4O3/c1-25(2)23(28)21-15-17-5-4-6-20(22(17)30-21)27-13-11-26(12-14-27)10-8-18-16-19(29-3)7-9-24-18/h4-7,9,15-16H,8,10-14H2,1-3H3
InChIKeyCAXWOPIXKUGWBU-UHFFFAOYSA-N
XLogP2.90
TPSA62.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.50
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-[4-[2-(4-methoxy-2-pyridinyl)ethyl]piperazin-1-yl]-N,N-dimethyl-1-benzofuran-2-carboxamide?
The IUPAC name of 7-[4-[2-(4-methoxy-2-pyridinyl)ethyl]piperazin-1-yl]-N,N-dimethyl-1-benzofuran-2-carboxamide (CID 59636738) is 7-[4-[2-(4-methoxy-2-pyridinyl)ethyl]piperazin-1-yl]-N,N-dimethyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for 7-[4-[2-(4-methoxy-2-pyridinyl)ethyl]piperazin-1-yl]-N,N-dimethyl-1-benzofuran-2-carboxamide?
The canonical SMILES for 7-[4-[2-(4-methoxy-2-pyridinyl)ethyl]piperazin-1-yl]-N,N-dimethyl-1-benzofuran-2-carboxamide is COc1ccnc(CCN2CCN(c3cccc4cc(C(=O)N(C)C)oc34)CC2)c1.
What is the InChIKey of 7-[4-[2-(4-methoxy-2-pyridinyl)ethyl]piperazin-1-yl]-N,N-dimethyl-1-benzofuran-2-carboxamide?
The InChIKey is CAXWOPIXKUGWBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O3/c1-25(2)23(28)21-15-17-5-4-6-20(22(17)30-21)27-13-11-26(12-14-27)10-8-18-16-19(29-3)7-9-24-18/h4-7,9,15-16H,8,10-14H2,1-3H3.
What are the key properties of 7-[4-[2-(4-methoxy-2-pyridinyl)ethyl]piperazin-1-yl]-N,N-dimethyl-1-benzofuran-2-carboxamide?
7-[4-[2-(4-methoxy-2-pyridinyl)ethyl]piperazin-1-yl]-N,N-dimethyl-1-benzofuran-2-carboxamide has a molecular weight of 408.50 g/mol, XLogP of 2.90, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-[2-(4-methoxy-2-pyridinyl)ethyl]piperazin-1-yl]-N,N-dimethyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 59636738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).