7-[4-[2-(3-methoxy-2-pyridinyl)ethyl]piperazin-1-yl]-N,N-dimethyl-1-benzofuran-2-carboxamide

C23H28N4O3 — CID 59636722

IUPAC7-[4-[2-(3-methoxy-2-pyridinyl)ethyl]piperazin-1-yl]-N,N-dimethyl-1-benzofuran-2-carboxamide
SMILESCOc1cccnc1CCN1CCN(c2cccc3cc(C(=O)N(C)C)oc23)CC1
InChIInChI=1S/C23H28N4O3/c1-25(2)23(28)21-16-17-6-4-7-19(22(17)30-21)27-14-12-26(13-15-27)11-9-18-20(29-3)8-5-10-24-18/h4-8,10,16H,9,11-15H2,1-3H3
InChIKeyNSEIYIHZQRXMDM-UHFFFAOYSA-N
MW408.50 g/mol
LogP2.90
Rot. Bonds6

About 7-[4-[2-(3-methoxy-2-pyridinyl)ethyl]piperazin-1-yl]-N,N-dimethyl-1-benzofuran-2-carboxamide

7-[4-[2-(3-methoxy-2-pyridinyl)ethyl]piperazin-1-yl]-N,N-dimethyl-1-benzofuran-2-carboxamide (PubChem CID 59636722) has the molecular formula C23H28N4O3 and a molecular weight of 408.50 g/mol. Its IUPAC name is 7-[4-[2-(3-methoxy-2-pyridinyl)ethyl]piperazin-1-yl]-N,N-dimethyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name7-[4-[2-(3-methoxy-2-pyridinyl)ethyl]piperazin-1-yl]-N,N-dimethyl-1-benzofuran-2-carboxamide
PubChem CID59636722
Molecular FormulaC23H28N4O3
Molecular Weight408.50 g/mol
Exact Mass408.22
IUPAC Name7-[4-[2-(3-methoxy-2-pyridinyl)ethyl]piperazin-1-yl]-N,N-dimethyl-1-benzofuran-2-carboxamide
SMILESCOc1cccnc1CCN1CCN(c2cccc3cc(C(=O)N(C)C)oc23)CC1
InChIInChI=1S/C23H28N4O3/c1-25(2)23(28)21-16-17-6-4-7-19(22(17)30-21)27-14-12-26(13-15-27)11-9-18-20(29-3)8-5-10-24-18/h4-8,10,16H,9,11-15H2,1-3H3
InChIKeyNSEIYIHZQRXMDM-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-(3-methoxy-2-pyridinyl)ethyl]piperazin-1-yl]-N,N-dimethyl-1-benzofuran-2-carboxamide?
The IUPAC name of 7-[4-[2-(3-methoxy-2-pyridinyl)ethyl]piperazin-1-yl]-N,N-dimethyl-1-benzofuran-2-carboxamide (CID 59636722) is 7-[4-[2-(3-methoxy-2-pyridinyl)ethyl]piperazin-1-yl]-N,N-dimethyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for 7-[4-[2-(3-methoxy-2-pyridinyl)ethyl]piperazin-1-yl]-N,N-dimethyl-1-benzofuran-2-carboxamide?
The canonical SMILES for 7-[4-[2-(3-methoxy-2-pyridinyl)ethyl]piperazin-1-yl]-N,N-dimethyl-1-benzofuran-2-carboxamide is COc1cccnc1CCN1CCN(c2cccc3cc(C(=O)N(C)C)oc23)CC1.
What is the InChIKey of 7-[4-[2-(3-methoxy-2-pyridinyl)ethyl]piperazin-1-yl]-N,N-dimethyl-1-benzofuran-2-carboxamide?
The InChIKey is NSEIYIHZQRXMDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O3/c1-25(2)23(28)21-16-17-6-4-7-19(22(17)30-21)27-14-12-26(13-15-27)11-9-18-20(29-3)8-5-10-24-18/h4-8,10,16H,9,11-15H2,1-3H3.
What are the key properties of 7-[4-[2-(3-methoxy-2-pyridinyl)ethyl]piperazin-1-yl]-N,N-dimethyl-1-benzofuran-2-carboxamide?
7-[4-[2-(3-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-(3-methoxy-2-pyridinyl)ethyl]piperazin-1-yl]-N,N-dimethyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 59636722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).