2-(4-methylpiperazin-1-yl)-N-(7,8,9,10-tetrahydro-6H-cyclohepta[b][1]benzofuran-2-yl)acetamide

C20H27N3O2 — CID 24896741

IUPAC2-(4-methylpiperazin-1-yl)-N-(7,8,9,10-tetrahydro-6H-cyclohepta[b][1]benzofuran-2-yl)acetamide
SMILESCN1CCN(CC(=O)Nc2ccc3oc4c(c3c2)CCCCC4)CC1
InChIInChI=1S/C20H27N3O2/c1-22-9-11-23(12-10-22)14-20(24)21-15-7-8-19-17(13-15)16-5-3-2-4-6-18(16)25-19/h7-8,13H,2-6,9-12,14H2,1H3,(H,21,24)
InChIKeyWHDNAVQSQHYFHV-UHFFFAOYSA-N
MW341.45 g/mol
LogP2.89
Rot. Bonds3

About 2-(4-methylpiperazin-1-yl)-N-(7,8,9,10-tetrahydro-6H-cyclohepta[b][1]benzofuran-2-yl)acetamide

2-(4-methylpiperazin-1-yl)-N-(7,8,9,10-tetrahydro-6H-cyclohepta[b][1]benzofuran-2-yl)acetamide (PubChem CID 24896741) has the molecular formula C20H27N3O2 and a molecular weight of 341.45 g/mol. Its IUPAC name is 2-(4-methylpiperazin-1-yl)-N-(7,8,9,10-tetrahydro-6H-cyclohepta[b][1]benzofuran-2-yl)acetamide.

Molecular Properties

Compound Name2-(4-methylpiperazin-1-yl)-N-(7,8,9,10-tetrahydro-6H-cyclohepta[b][1]benzofuran-2-yl)acetamide
PubChem CID24896741
Molecular FormulaC20H27N3O2
Molecular Weight341.45 g/mol
Exact Mass341.21
IUPAC Name2-(4-methylpiperazin-1-yl)-N-(7,8,9,10-tetrahydro-6H-cyclohepta[b][1]benzofuran-2-yl)acetamide
SMILESCN1CCN(CC(=O)Nc2ccc3oc4c(c3c2)CCCCC4)CC1
InChIInChI=1S/C20H27N3O2/c1-22-9-11-23(12-10-22)14-20(24)21-15-7-8-19-17(13-15)16-5-3-2-4-6-18(16)25-19/h7-8,13H,2-6,9-12,14H2,1H3,(H,21,24)
InChIKeyWHDNAVQSQHYFHV-UHFFFAOYSA-N
XLogP2.89
TPSA48.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.45
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(4-methylpiperazin-1-yl)-N-(7,8,9,10-tetrahydro-6H-cyclohepta[b][1]benzofuran-2-yl)acetamide with MolForge

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Related Compounds

N-(7,8,9,10-tetrahydro-6H-cyclohepta[b][1]benzofuran-2-yl)pyrrolidine-1-carboxamide
CID 24896972
N-(6,7,8,9,10,11-hexahydrocycloocta[b][1]benzofuran-2-yl)morpholine-4-carboxamide
CID 24898077
2-(azepan-1-yl)-N-(3,4-dimethylphenyl)acetamide
CID 8895959
N-phenyl-2-[4-[[2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetyl]amino]piperidin-1-yl]acetamide
CID 16589772
N-(6,7,8,9,10,11-hexahydrocycloocta[b][1]benzofuran-2-yl)-2,6-dimethoxybenzamide
CID 24897851
2-(4-methylpiperazin-1-yl)-N-(7-nitro-9-oxoxanthen-3-yl)acetamide
CID 162787910
N-(3-acetamidophenyl)-2-(4-methylpiperazin-1-yl)acetamide
CID 45366461
N-(4-methoxyphenyl)-2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetamide
CID 3772122
N-(4-acetylphenyl)-2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetamide
CID 8712821
N-(4,8-dimethyl-2-oxofuro[2,3-h]chromen-9-yl)-2-(4-methylpiperazin-1-yl)acetamide
CID 3058824
methyl 1-(2-hydroxyethyl)-5-oxo-4-(6,7,8,9-tetrahydrodibenzofuran-2-ylamino)-2H-pyrrole-3-carboxylate
CID 168565424
[(2S)-1-oxo-3-phenyl-1-(7,8,9,10-tetrahydro-6H-cyclohepta[b][1]benzofuran-2-ylamino)propan-2-yl]carbamic acid
CID 68818606

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpiperazin-1-yl)-N-(7,8,9,10-tetrahydro-6H-cyclohepta[b][1]benzofuran-2-yl)acetamide?
The IUPAC name of 2-(4-methylpiperazin-1-yl)-N-(7,8,9,10-tetrahydro-6H-cyclohepta[b][1]benzofuran-2-yl)acetamide (CID 24896741) is 2-(4-methylpiperazin-1-yl)-N-(7,8,9,10-tetrahydro-6H-cyclohepta[b][1]benzofuran-2-yl)acetamide.
What is the SMILES notation for 2-(4-methylpiperazin-1-yl)-N-(7,8,9,10-tetrahydro-6H-cyclohepta[b][1]benzofuran-2-yl)acetamide?
The canonical SMILES for 2-(4-methylpiperazin-1-yl)-N-(7,8,9,10-tetrahydro-6H-cyclohepta[b][1]benzofuran-2-yl)acetamide is CN1CCN(CC(=O)Nc2ccc3oc4c(c3c2)CCCCC4)CC1.
What is the InChIKey of 2-(4-methylpiperazin-1-yl)-N-(7,8,9,10-tetrahydro-6H-cyclohepta[b][1]benzofuran-2-yl)acetamide?
The InChIKey is WHDNAVQSQHYFHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O2/c1-22-9-11-23(12-10-22)14-20(24)21-15-7-8-19-17(13-15)16-5-3-2-4-6-18(16)25-19/h7-8,13H,2-6,9-12,14H2,1H3,(H,21,24).
What are the key properties of 2-(4-methylpiperazin-1-yl)-N-(7,8,9,10-tetrahydro-6H-cyclohepta[b][1]benzofuran-2-yl)acetamide?
2-(4-methylpiperazin-1-yl)-N-(7,8,9,10-tetrahydro-6H-cyclohepta[b][1]benzofuran-2-yl)acetamide has a molecular weight of 341.45 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpiperazin-1-yl)-N-(7,8,9,10-tetrahydro-6H-cyclohepta[b][1]benzofuran-2-yl)acetamide is sourced from PubChem (CID 24896741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).