4-ethyl-N-[7-(hydroxyamino)-7-oxoheptyl]-N-[4-(1H-indol-5-yl)phenyl]piperazine-1-carboxamide

C28H37N5O3 — CID 87113730

IUPAC4-ethyl-N-[7-(hydroxyamino)-7-oxoheptyl]-N-[4-(1H-indol-5-yl)phenyl]piperazine-1-carboxamide
SMILESCCN1CCN(C(=O)N(CCCCCCC(=O)NO)c2ccc(-c3ccc4[nH]ccc4c3)cc2)CC1
InChIInChI=1S/C28H37N5O3/c1-2-31-17-19-32(20-18-31)28(35)33(16-6-4-3-5-7-27(34)30-36)25-11-8-22(9-12-25)23-10-13-26-24(21-23)14-15-29-26/h8-15,21,29,36H,2-7,16-20H2,1H3,(H,30,34)
InChIKeyXRVWPBBREPTBDY-UHFFFAOYSA-N
MW491.64 g/mol
LogP4.85
Rot. Bonds10

About 4-ethyl-N-[7-(hydroxyamino)-7-oxoheptyl]-N-[4-(1H-indol-5-yl)phenyl]piperazine-1-carboxamide

4-ethyl-N-[7-(hydroxyamino)-7-oxoheptyl]-N-[4-(1H-indol-5-yl)phenyl]piperazine-1-carboxamide (PubChem CID 87113730) has the molecular formula C28H37N5O3 and a molecular weight of 491.64 g/mol. Its IUPAC name is 4-ethyl-N-[7-(hydroxyamino)-7-oxoheptyl]-N-[4-(1H-indol-5-yl)phenyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-ethyl-N-[7-(hydroxyamino)-7-oxoheptyl]-N-[4-(1H-indol-5-yl)phenyl]piperazine-1-carboxamide
PubChem CID87113730
Molecular FormulaC28H37N5O3
Molecular Weight491.64 g/mol
Exact Mass491.29
IUPAC Name4-ethyl-N-[7-(hydroxyamino)-7-oxoheptyl]-N-[4-(1H-indol-5-yl)phenyl]piperazine-1-carboxamide
SMILESCCN1CCN(C(=O)N(CCCCCCC(=O)NO)c2ccc(-c3ccc4[nH]ccc4c3)cc2)CC1
InChIInChI=1S/C28H37N5O3/c1-2-31-17-19-32(20-18-31)28(35)33(16-6-4-3-5-7-27(34)30-36)25-11-8-22(9-12-25)23-10-13-26-24(21-23)14-15-29-26/h8-15,21,29,36H,2-7,16-20H2,1H3,(H,30,34)
InChIKeyXRVWPBBREPTBDY-UHFFFAOYSA-N
XLogP4.85
TPSA91.91 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.64
LogP ≤ 54.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-ethyl-N-[7-(hydroxyamino)-7-oxoheptyl]-N-[4-(1H-indol-5-yl)phenyl]piperazine-1-carboxamide 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 4-ethyl-N-[7-(hydroxyamino)-7-oxoheptyl]-N-[4-(1H-indol-5-yl)phenyl]piperazine-1-carboxamide?
The IUPAC name of 4-ethyl-N-[7-(hydroxyamino)-7-oxoheptyl]-N-[4-(1H-indol-5-yl)phenyl]piperazine-1-carboxamide (CID 87113730) is 4-ethyl-N-[7-(hydroxyamino)-7-oxoheptyl]-N-[4-(1H-indol-5-yl)phenyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-ethyl-N-[7-(hydroxyamino)-7-oxoheptyl]-N-[4-(1H-indol-5-yl)phenyl]piperazine-1-carboxamide?
The canonical SMILES for 4-ethyl-N-[7-(hydroxyamino)-7-oxoheptyl]-N-[4-(1H-indol-5-yl)phenyl]piperazine-1-carboxamide is CCN1CCN(C(=O)N(CCCCCCC(=O)NO)c2ccc(-c3ccc4[nH]ccc4c3)cc2)CC1.
What is the InChIKey of 4-ethyl-N-[7-(hydroxyamino)-7-oxoheptyl]-N-[4-(1H-indol-5-yl)phenyl]piperazine-1-carboxamide?
The InChIKey is XRVWPBBREPTBDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H37N5O3/c1-2-31-17-19-32(20-18-31)28(35)33(16-6-4-3-5-7-27(34)30-36)25-11-8-22(9-12-25)23-10-13-26-24(21-23)14-15-29-26/h8-15,21,29,36H,2-7,16-20H2,1H3,(H,30,34).
What are the key properties of 4-ethyl-N-[7-(hydroxyamino)-7-oxoheptyl]-N-[4-(1H-indol-5-yl)phenyl]piperazine-1-carboxamide?
4-ethyl-N-[7-(hydroxyamino)-7-oxoheptyl]-N-[4-(1H-indol-5-yl)phenyl]piperazine-1-carboxamide has a molecular weight of 491.64 g/mol, XLogP of 4.85, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-[7-(hydroxyamino)-7-oxoheptyl]-N-[4-(1H-indol-5-yl)phenyl]piperazine-1-carboxamide is sourced from PubChem (CID 87113730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).