1-[1-[5-[3-(2-oxo-2-piperidin-1-ylacetyl)indol-1-yl]pentyl]indol-3-yl]-2-piperidin-1-ylethane-1,2-dione

C35H40N4O4 — CID 54585713

IUPAC1-[1-[5-[3-(2-oxo-2-piperidin-1-ylacetyl)indol-1-yl]pentyl]indol-3-yl]-2-piperidin-1-ylethane-1,2-dione
SMILESO=C(C(=O)N1CCCCC1)c1cn(CCCCCn2cc(C(=O)C(=O)N3CCCCC3)c3ccccc32)c2ccccc12
InChIInChI=1S/C35H40N4O4/c40-32(34(42)36-18-8-1-9-19-36)28-24-38(30-16-6-4-14-26(28)30)22-12-3-13-23-39-25-29(27-15-5-7-17-31(27)39)33(41)35(43)37-20-10-2-11-21-37/h4-7,14-17,24-25H,1-3,8-13,18-23H2
InChIKeyQLMAHCCZRNRBEY-UHFFFAOYSA-N
MW580.73 g/mol
LogP5.86
Rot. Bonds10

About 1-[1-[5-[3-(2-oxo-2-piperidin-1-ylacetyl)indol-1-yl]pentyl]indol-3-yl]-2-piperidin-1-ylethane-1,2-dione

1-[1-[5-[3-(2-oxo-2-piperidin-1-ylacetyl)indol-1-yl]pentyl]indol-3-yl]-2-piperidin-1-ylethane-1,2-dione (PubChem CID 54585713) has the molecular formula C35H40N4O4 and a molecular weight of 580.73 g/mol. Its IUPAC name is 1-[1-[5-[3-(2-oxo-2-piperidin-1-ylacetyl)indol-1-yl]pentyl]indol-3-yl]-2-piperidin-1-ylethane-1,2-dione.

Molecular Properties

Compound Name1-[1-[5-[3-(2-oxo-2-piperidin-1-ylacetyl)indol-1-yl]pentyl]indol-3-yl]-2-piperidin-1-ylethane-1,2-dione
PubChem CID54585713
Molecular FormulaC35H40N4O4
Molecular Weight580.73 g/mol
Exact Mass580.30
IUPAC Name1-[1-[5-[3-(2-oxo-2-piperidin-1-ylacetyl)indol-1-yl]pentyl]indol-3-yl]-2-piperidin-1-ylethane-1,2-dione
SMILESO=C(C(=O)N1CCCCC1)c1cn(CCCCCn2cc(C(=O)C(=O)N3CCCCC3)c3ccccc32)c2ccccc12
InChIInChI=1S/C35H40N4O4/c40-32(34(42)36-18-8-1-9-19-36)28-24-38(30-16-6-4-14-26(28)30)22-12-3-13-23-39-25-29(27-15-5-7-17-31(27)39)33(41)35(43)37-20-10-2-11-21-37/h4-7,14-17,24-25H,1-3,8-13,18-23H2
InChIKeyQLMAHCCZRNRBEY-UHFFFAOYSA-N
XLogP5.86
TPSA84.62 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500580.73
LogP ≤ 55.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[5-[3-(2-oxo-2-piperidin-1-ylacetyl)indol-1-yl]pentyl]indol-3-yl]-2-piperidin-1-ylethane-1,2-dione?
The IUPAC name of 1-[1-[5-[3-(2-oxo-2-piperidin-1-ylacetyl)indol-1-yl]pentyl]indol-3-yl]-2-piperidin-1-ylethane-1,2-dione (CID 54585713) is 1-[1-[5-[3-(2-oxo-2-piperidin-1-ylacetyl)indol-1-yl]pentyl]indol-3-yl]-2-piperidin-1-ylethane-1,2-dione.
What is the SMILES notation for 1-[1-[5-[3-(2-oxo-2-piperidin-1-ylacetyl)indol-1-yl]pentyl]indol-3-yl]-2-piperidin-1-ylethane-1,2-dione?
The canonical SMILES for 1-[1-[5-[3-(2-oxo-2-piperidin-1-ylacetyl)indol-1-yl]pentyl]indol-3-yl]-2-piperidin-1-ylethane-1,2-dione is O=C(C(=O)N1CCCCC1)c1cn(CCCCCn2cc(C(=O)C(=O)N3CCCCC3)c3ccccc32)c2ccccc12.
What is the InChIKey of 1-[1-[5-[3-(2-oxo-2-piperidin-1-ylacetyl)indol-1-yl]pentyl]indol-3-yl]-2-piperidin-1-ylethane-1,2-dione?
The InChIKey is QLMAHCCZRNRBEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H40N4O4/c40-32(34(42)36-18-8-1-9-19-36)28-24-38(30-16-6-4-14-26(28)30)22-12-3-13-23-39-25-29(27-15-5-7-17-31(27)39)33(41)35(43)37-20-10-2-11-21-37/h4-7,14-17,24-25H,1-3,8-13,18-23H2.
What are the key properties of 1-[1-[5-[3-(2-oxo-2-piperidin-1-ylacetyl)indol-1-yl]pentyl]indol-3-yl]-2-piperidin-1-ylethane-1,2-dione?
1-[1-[5-[3-(2-oxo-2-piperidin-1-ylacetyl)indol-1-yl]pentyl]indol-3-yl]-2-piperidin-1-ylethane-1,2-dione has a molecular weight of 580.73 g/mol, XLogP of 5.86, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[5-[3-(2-oxo-2-piperidin-1-ylacetyl)indol-1-yl]pentyl]indol-3-yl]-2-piperidin-1-ylethane-1,2-dione is sourced from PubChem (CID 54585713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).