N-[2-[4-(1-benzofuran-7-yl)piperazin-1-yl]ethyl]-4-methoxy-N-methylbenzamide

C23H27N3O3 — CID 21286415

IUPACN-[2-[4-(1-benzofuran-7-yl)piperazin-1-yl]ethyl]-4-methoxy-N-methylbenzamide
SMILESCOc1ccc(C(=O)N(C)CCN2CCN(c3cccc4ccoc34)CC2)cc1
InChIInChI=1S/C23H27N3O3/c1-24(23(27)19-6-8-20(28-2)9-7-19)11-12-25-13-15-26(16-14-25)21-5-3-4-18-10-17-29-22(18)21/h3-10,17H,11-16H2,1-2H3
InChIKeyANYMKJHQVISXMS-UHFFFAOYSA-N
MW393.49 g/mol
LogP3.34
Rot. Bonds6

About N-[2-[4-(1-benzofuran-7-yl)piperazin-1-yl]ethyl]-4-methoxy-N-methylbenzamide

N-[2-[4-(1-benzofuran-7-yl)piperazin-1-yl]ethyl]-4-methoxy-N-methylbenzamide (PubChem CID 21286415) has the molecular formula C23H27N3O3 and a molecular weight of 393.49 g/mol. Its IUPAC name is N-[2-[4-(1-benzofuran-7-yl)piperazin-1-yl]ethyl]-4-methoxy-N-methylbenzamide.

Molecular Properties

Compound NameN-[2-[4-(1-benzofuran-7-yl)piperazin-1-yl]ethyl]-4-methoxy-N-methylbenzamide
PubChem CID21286415
Molecular FormulaC23H27N3O3
Molecular Weight393.49 g/mol
Exact Mass393.21
IUPAC NameN-[2-[4-(1-benzofuran-7-yl)piperazin-1-yl]ethyl]-4-methoxy-N-methylbenzamide
SMILESCOc1ccc(C(=O)N(C)CCN2CCN(c3cccc4ccoc34)CC2)cc1
InChIInChI=1S/C23H27N3O3/c1-24(23(27)19-6-8-20(28-2)9-7-19)11-12-25-13-15-26(16-14-25)21-5-3-4-18-10-17-29-22(18)21/h3-10,17H,11-16H2,1-2H3
InChIKeyANYMKJHQVISXMS-UHFFFAOYSA-N
XLogP3.34
TPSA49.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(1-benzofuran-7-yl)piperazin-1-yl]ethyl]-4-methoxy-N-methylbenzamide?
The IUPAC name of N-[2-[4-(1-benzofuran-7-yl)piperazin-1-yl]ethyl]-4-methoxy-N-methylbenzamide (CID 21286415) is N-[2-[4-(1-benzofuran-7-yl)piperazin-1-yl]ethyl]-4-methoxy-N-methylbenzamide.
What is the SMILES notation for N-[2-[4-(1-benzofuran-7-yl)piperazin-1-yl]ethyl]-4-methoxy-N-methylbenzamide?
The canonical SMILES for N-[2-[4-(1-benzofuran-7-yl)piperazin-1-yl]ethyl]-4-methoxy-N-methylbenzamide is COc1ccc(C(=O)N(C)CCN2CCN(c3cccc4ccoc34)CC2)cc1.
What is the InChIKey of N-[2-[4-(1-benzofuran-7-yl)piperazin-1-yl]ethyl]-4-methoxy-N-methylbenzamide?
The InChIKey is ANYMKJHQVISXMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O3/c1-24(23(27)19-6-8-20(28-2)9-7-19)11-12-25-13-15-26(16-14-25)21-5-3-4-18-10-17-29-22(18)21/h3-10,17H,11-16H2,1-2H3.
What are the key properties of N-[2-[4-(1-benzofuran-7-yl)piperazin-1-yl]ethyl]-4-methoxy-N-methylbenzamide?
N-[2-[4-(1-benzofuran-7-yl)piperazin-1-yl]ethyl]-4-methoxy-N-methylbenzamide has a molecular weight of 393.49 g/mol, XLogP of 3.34, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(1-benzofuran-7-yl)piperazin-1-yl]ethyl]-4-methoxy-N-methylbenzamide is sourced from PubChem (CID 21286415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).