2-[1-[(E)-3-(2,2-dimethyl-3H-1-benzofuran-5-yl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]acetamide

C34H42N4O3 — CID 57344302

IUPAC2-[1-[(E)-3-(2,2-dimethyl-3H-1-benzofuran-5-yl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]acetamide
SMILESCC1(C)Cc2cc(/C=C/C(=O)N3CCC(C(NC4CCC(c5c[nH]c6ccccc56)CC4)C(N)=O)CC3)ccc2O1
InChIInChI=1S/C34H42N4O3/c1-34(2)20-25-19-22(7-13-30(25)41-34)8-14-31(39)38-17-15-24(16-18-38)32(33(35)40)37-26-11-9-23(10-12-26)28-21-36-29-6-4-3-5-27(28)29/h3-8,13-14,19,21,23-24,26,32,36-37H,9-12,15-18,20H2,1-2H3,(H2,35,40)/b14-8+
InChIKeyGGIPSJODRAGBRA-RIYZIHGNSA-N
MW554.74 g/mol
LogP5.30
Rot. Bonds7

About 2-[1-[(E)-3-(2,2-dimethyl-3H-1-benzofuran-5-yl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]acetamide

2-[1-[(E)-3-(2,2-dimethyl-3H-1-benzofuran-5-yl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]acetamide (PubChem CID 57344302) has the molecular formula C34H42N4O3 and a molecular weight of 554.74 g/mol. Its IUPAC name is 2-[1-[(E)-3-(2,2-dimethyl-3H-1-benzofuran-5-yl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]acetamide.

Molecular Properties

Compound Name2-[1-[(E)-3-(2,2-dimethyl-3H-1-benzofuran-5-yl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]acetamide
PubChem CID57344302
Molecular FormulaC34H42N4O3
Molecular Weight554.74 g/mol
Exact Mass554.33
IUPAC Name2-[1-[(E)-3-(2,2-dimethyl-3H-1-benzofuran-5-yl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]acetamide
SMILESCC1(C)Cc2cc(/C=C/C(=O)N3CCC(C(NC4CCC(c5c[nH]c6ccccc56)CC4)C(N)=O)CC3)ccc2O1
InChIInChI=1S/C34H42N4O3/c1-34(2)20-25-19-22(7-13-30(25)41-34)8-14-31(39)38-17-15-24(16-18-38)32(33(35)40)37-26-11-9-23(10-12-26)28-21-36-29-6-4-3-5-27(28)29/h3-8,13-14,19,21,23-24,26,32,36-37H,9-12,15-18,20H2,1-2H3,(H2,35,40)/b14-8+
InChIKeyGGIPSJODRAGBRA-RIYZIHGNSA-N
XLogP5.30
TPSA100.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500554.74
LogP ≤ 55.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 2-[1-[(E)-3-(2,2-dimethyl-3H-1-benzofuran-5-yl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]acetamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(E)-3-(2,2-dimethyl-3H-1-benzofuran-5-yl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]acetamide?
The IUPAC name of 2-[1-[(E)-3-(2,2-dimethyl-3H-1-benzofuran-5-yl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]acetamide (CID 57344302) is 2-[1-[(E)-3-(2,2-dimethyl-3H-1-benzofuran-5-yl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]acetamide.
What is the SMILES notation for 2-[1-[(E)-3-(2,2-dimethyl-3H-1-benzofuran-5-yl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]acetamide?
The canonical SMILES for 2-[1-[(E)-3-(2,2-dimethyl-3H-1-benzofuran-5-yl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]acetamide is CC1(C)Cc2cc(/C=C/C(=O)N3CCC(C(NC4CCC(c5c[nH]c6ccccc56)CC4)C(N)=O)CC3)ccc2O1.
What is the InChIKey of 2-[1-[(E)-3-(2,2-dimethyl-3H-1-benzofuran-5-yl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]acetamide?
The InChIKey is GGIPSJODRAGBRA-RIYZIHGNSA-N. The full InChI is InChI=1S/C34H42N4O3/c1-34(2)20-25-19-22(7-13-30(25)41-34)8-14-31(39)38-17-15-24(16-18-38)32(33(35)40)37-26-11-9-23(10-12-26)28-21-36-29-6-4-3-5-27(28)29/h3-8,13-14,19,21,23-24,26,32,36-37H,9-12,15-18,20H2,1-2H3,(H2,35,40)/b14-8+.
What are the key properties of 2-[1-[(E)-3-(2,2-dimethyl-3H-1-benzofuran-5-yl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]acetamide?
2-[1-[(E)-3-(2,2-dimethyl-3H-1-benzofuran-5-yl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]acetamide has a molecular weight of 554.74 g/mol, XLogP of 5.30, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(E)-3-(2,2-dimethyl-3H-1-benzofuran-5-yl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]acetamide is sourced from PubChem (CID 57344302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).