methyl 3-[[2-[4-(furan-2-carbonyl)piperazin-1-yl]acetyl]amino]-6-methyl-1H-indole-2-carboxylate

C22H24N4O5 — CID 664042

IUPACmethyl 3-[[2-[4-(furan-2-carbonyl)piperazin-1-yl]acetyl]amino]-6-methyl-1H-indole-2-carboxylate
SMILESCOC(=O)c1[nH]c2cc(C)ccc2c1NC(=O)CN1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C22H24N4O5/c1-14-5-6-15-16(12-14)23-20(22(29)30-2)19(15)24-18(27)13-25-7-9-26(10-8-25)21(28)17-4-3-11-31-17/h3-6,11-12,23H,7-10,13H2,1-2H3,(H,24,27)
InChIKeyTVUZUPRVECIGSD-UHFFFAOYSA-N
MW424.46 g/mol
LogP2.25
Rot. Bonds5

About methyl 3-[[2-[4-(furan-2-carbonyl)piperazin-1-yl]acetyl]amino]-6-methyl-1H-indole-2-carboxylate

methyl 3-[[2-[4-(furan-2-carbonyl)piperazin-1-yl]acetyl]amino]-6-methyl-1H-indole-2-carboxylate (PubChem CID 664042) has the molecular formula C22H24N4O5 and a molecular weight of 424.46 g/mol. Its IUPAC name is methyl 3-[[2-[4-(furan-2-carbonyl)piperazin-1-yl]acetyl]amino]-6-methyl-1H-indole-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-[[2-[4-(furan-2-carbonyl)piperazin-1-yl]acetyl]amino]-6-methyl-1H-indole-2-carboxylate
PubChem CID664042
Molecular FormulaC22H24N4O5
Molecular Weight424.46 g/mol
Exact Mass424.17
IUPAC Namemethyl 3-[[2-[4-(furan-2-carbonyl)piperazin-1-yl]acetyl]amino]-6-methyl-1H-indole-2-carboxylate
SMILESCOC(=O)c1[nH]c2cc(C)ccc2c1NC(=O)CN1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C22H24N4O5/c1-14-5-6-15-16(12-14)23-20(22(29)30-2)19(15)24-18(27)13-25-7-9-26(10-8-25)21(28)17-4-3-11-31-17/h3-6,11-12,23H,7-10,13H2,1-2H3,(H,24,27)
InChIKeyTVUZUPRVECIGSD-UHFFFAOYSA-N
XLogP2.25
TPSA107.88 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.46
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze methyl 3-[[2-[4-(furan-2-carbonyl)piperazin-1-yl]acetyl]amino]-6-methyl-1H-indole-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(3-methylphenyl)acetamide
CID 8932674
N-(2-fluoro-4-methylphenyl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]acetamide
CID 8932787
N-(2-ethyl-6-methylphenyl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]acetamide
CID 8932507
methyl 3-[[2-(4-benzylpiperazin-1-yl)acetyl]amino]-1H-indole-2-carboxylate
CID 56689811
dimethyl 2-[[2-[4-(furan-2-carbonyl)piperazin-1-yl]acetyl]amino]benzene-1,4-dicarboxylate
CID 2414666
methyl 3-[[2-[(3R)-4-(4-methoxyphenyl)-3-methylpiperazin-1-yl]acetyl]amino]-6-methyl-1H-indole-2-carboxylate
CID 40937306
methyl 3-[[2-[(2S)-2-ethylpiperidin-1-yl]acetyl]amino]-6-methyl-1H-indole-2-carboxylate
CID 2007878
methyl 3-[[2-(azepan-1-yl)acetyl]amino]-1H-indole-2-carboxylate
CID 658228
2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide
CID 6472660
2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-phenylacetamide
CID 773151
methyl 3-[[2-(4-benzhydrylpiperazin-1-yl)acetyl]amino]-6-methoxy-1H-indole-2-carboxylate
CID 4019750
methyl 5-methyl-3-[[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetyl]amino]-1H-indole-2-carboxylate
CID 2005543

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[2-[4-(furan-2-carbonyl)piperazin-1-yl]acetyl]amino]-6-methyl-1H-indole-2-carboxylate?
The IUPAC name of methyl 3-[[2-[4-(furan-2-carbonyl)piperazin-1-yl]acetyl]amino]-6-methyl-1H-indole-2-carboxylate (CID 664042) is methyl 3-[[2-[4-(furan-2-carbonyl)piperazin-1-yl]acetyl]amino]-6-methyl-1H-indole-2-carboxylate.
What is the SMILES notation for methyl 3-[[2-[4-(furan-2-carbonyl)piperazin-1-yl]acetyl]amino]-6-methyl-1H-indole-2-carboxylate?
The canonical SMILES for methyl 3-[[2-[4-(furan-2-carbonyl)piperazin-1-yl]acetyl]amino]-6-methyl-1H-indole-2-carboxylate is COC(=O)c1[nH]c2cc(C)ccc2c1NC(=O)CN1CCN(C(=O)c2ccco2)CC1.
What is the InChIKey of methyl 3-[[2-[4-(furan-2-carbonyl)piperazin-1-yl]acetyl]amino]-6-methyl-1H-indole-2-carboxylate?
The InChIKey is TVUZUPRVECIGSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O5/c1-14-5-6-15-16(12-14)23-20(22(29)30-2)19(15)24-18(27)13-25-7-9-26(10-8-25)21(28)17-4-3-11-31-17/h3-6,11-12,23H,7-10,13H2,1-2H3,(H,24,27).
What are the key properties of methyl 3-[[2-[4-(furan-2-carbonyl)piperazin-1-yl]acetyl]amino]-6-methyl-1H-indole-2-carboxylate?
methyl 3-[[2-[4-(furan-2-carbonyl)piperazin-1-yl]acetyl]amino]-6-methyl-1H-indole-2-carboxylate has a molecular weight of 424.46 g/mol, XLogP of 2.25, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[2-[4-(furan-2-carbonyl)piperazin-1-yl]acetyl]amino]-6-methyl-1H-indole-2-carboxylate is sourced from PubChem (CID 664042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).