2-[4-(5-methoxy-3-methyl-1-benzofuran-2-carbonyl)piperazin-1-yl]-N-(3-methoxypropyl)acetamide

C21H29N3O5 — CID 8810643

IUPAC2-[4-(5-methoxy-3-methyl-1-benzofuran-2-carbonyl)piperazin-1-yl]-N-(3-methoxypropyl)acetamide
SMILESCOCCCNC(=O)CN1CCN(C(=O)c2oc3ccc(OC)cc3c2C)CC1
InChIInChI=1S/C21H29N3O5/c1-15-17-13-16(28-3)5-6-18(17)29-20(15)21(26)24-10-8-23(9-11-24)14-19(25)22-7-4-12-27-2/h5-6,13H,4,7-12,14H2,1-3H3,(H,22,25)
InChIKeyOKICHXMESPSLPD-UHFFFAOYSA-N
MW403.48 g/mol
LogP1.66
Rot. Bonds8

About 2-[4-(5-methoxy-3-methyl-1-benzofuran-2-carbonyl)piperazin-1-yl]-N-(3-methoxypropyl)acetamide

2-[4-(5-methoxy-3-methyl-1-benzofuran-2-carbonyl)piperazin-1-yl]-N-(3-methoxypropyl)acetamide (PubChem CID 8810643) has the molecular formula C21H29N3O5 and a molecular weight of 403.48 g/mol. Its IUPAC name is 2-[4-(5-methoxy-3-methyl-1-benzofuran-2-carbonyl)piperazin-1-yl]-N-(3-methoxypropyl)acetamide.

Molecular Properties

Compound Name2-[4-(5-methoxy-3-methyl-1-benzofuran-2-carbonyl)piperazin-1-yl]-N-(3-methoxypropyl)acetamide
PubChem CID8810643
Molecular FormulaC21H29N3O5
Molecular Weight403.48 g/mol
Exact Mass403.21
IUPAC Name2-[4-(5-methoxy-3-methyl-1-benzofuran-2-carbonyl)piperazin-1-yl]-N-(3-methoxypropyl)acetamide
SMILESCOCCCNC(=O)CN1CCN(C(=O)c2oc3ccc(OC)cc3c2C)CC1
InChIInChI=1S/C21H29N3O5/c1-15-17-13-16(28-3)5-6-18(17)29-20(15)21(26)24-10-8-23(9-11-24)14-19(25)22-7-4-12-27-2/h5-6,13H,4,7-12,14H2,1-3H3,(H,22,25)
InChIKeyOKICHXMESPSLPD-UHFFFAOYSA-N
XLogP1.66
TPSA84.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.48
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(5-methoxy-3-methyl-1-benzofuran-2-yl)-(4-prop-2-ynylpiperazin-1-yl)methanone
CID 86862268
(2,4-dimethoxyphenyl)-[4-(5-methoxy-3-methyl-1-benzofuran-2-carbonyl)piperazin-1-yl]methanone
CID 55904204
N-(3-methoxypropyl)-2-[4-(naphthalene-2-carbonyl)piperazin-1-yl]acetamide
CID 8945118
2-[4-[(E)-3-(6-methoxynaphthalen-2-yl)prop-2-enoyl]piperazin-1-yl]-N-(3-methoxypropyl)acetamide
CID 8945171
(5-chloro-3-methyl-1-benzofuran-2-yl)-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]methanone
CID 9077186
N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-5-methoxy-3-methyl-1-benzofuran-2-carboxamide
CID 134047684
[4-(4-fluorophenyl)piperazin-1-yl]-(5-methoxy-3-methyl-1-benzofuran-2-yl)methanone
CID 9077758
N-cyclopropyl-2-[4-(5-methoxy-2-methyl-1-benzofuran-3-carbonyl)piperazin-1-yl]acetamide
CID 55790290
N-[[(3R)-1-(5-methoxy-3-methyl-1-benzofuran-2-carbonyl)piperidin-3-yl]methyl]butanamide
CID 52513590
[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]-(5-methoxy-3-methyl-1-benzofuran-2-yl)methanone
CID 8968308
5-methoxy-3-methyl-N-(3-piperidin-1-ium-1-ylpropyl)-1-benzofuran-2-carboxamide
CID 9049025
N-(3-methoxypropyl)-2-[4-(6-methylpyridine-2-carbonyl)piperazin-1-yl]acetamide
CID 55543914

Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-methoxy-3-methyl-1-benzofuran-2-carbonyl)piperazin-1-yl]-N-(3-methoxypropyl)acetamide?
The IUPAC name of 2-[4-(5-methoxy-3-methyl-1-benzofuran-2-carbonyl)piperazin-1-yl]-N-(3-methoxypropyl)acetamide (CID 8810643) is 2-[4-(5-methoxy-3-methyl-1-benzofuran-2-carbonyl)piperazin-1-yl]-N-(3-methoxypropyl)acetamide.
What is the SMILES notation for 2-[4-(5-methoxy-3-methyl-1-benzofuran-2-carbonyl)piperazin-1-yl]-N-(3-methoxypropyl)acetamide?
The canonical SMILES for 2-[4-(5-methoxy-3-methyl-1-benzofuran-2-carbonyl)piperazin-1-yl]-N-(3-methoxypropyl)acetamide is COCCCNC(=O)CN1CCN(C(=O)c2oc3ccc(OC)cc3c2C)CC1.
What is the InChIKey of 2-[4-(5-methoxy-3-methyl-1-benzofuran-2-carbonyl)piperazin-1-yl]-N-(3-methoxypropyl)acetamide?
The InChIKey is OKICHXMESPSLPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O5/c1-15-17-13-16(28-3)5-6-18(17)29-20(15)21(26)24-10-8-23(9-11-24)14-19(25)22-7-4-12-27-2/h5-6,13H,4,7-12,14H2,1-3H3,(H,22,25).
What are the key properties of 2-[4-(5-methoxy-3-methyl-1-benzofuran-2-carbonyl)piperazin-1-yl]-N-(3-methoxypropyl)acetamide?
2-[4-(5-methoxy-3-methyl-1-benzofuran-2-carbonyl)piperazin-1-yl]-N-(3-methoxypropyl)acetamide has a molecular weight of 403.48 g/mol, XLogP of 1.66, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5-methoxy-3-methyl-1-benzofuran-2-carbonyl)piperazin-1-yl]-N-(3-methoxypropyl)acetamide is sourced from PubChem (CID 8810643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).