ethane;N-formyl-2-(2-oxo-6-piperidin-4-ylbenzo[cd]indol-1-yl)pentanamide

C26H37N3O3 — CID 167471306

IUPACethane;N-formyl-2-(2-oxo-6-piperidin-4-ylbenzo[cd]indol-1-yl)pentanamide
SMILESCC.CC.CCCC(C(=O)NC=O)N1C(=O)c2cccc3c(C4CCNCC4)ccc1c23
InChIInChI=1S/C22H25N3O3.2C2H6/c1-2-4-19(21(27)24-13-26)25-18-8-7-15(14-9-11-23-12-10-14)16-5-3-6-17(20(16)18)22(25)28;2*1-2/h3,5-8,13-14,19,23H,2,4,9-12H2,1H3,(H,24,26,27);2*1-2H3
InChIKeyRFXGQQKWOPRQKK-UHFFFAOYSA-N
MW439.60 g/mol
LogP4.76
Rot. Bonds6

About ethane;N-formyl-2-(2-oxo-6-piperidin-4-ylbenzo[cd]indol-1-yl)pentanamide

ethane;N-formyl-2-(2-oxo-6-piperidin-4-ylbenzo[cd]indol-1-yl)pentanamide (PubChem CID 167471306) has the molecular formula C26H37N3O3 and a molecular weight of 439.60 g/mol. Its IUPAC name is ethane;N-formyl-2-(2-oxo-6-piperidin-4-ylbenzo[cd]indol-1-yl)pentanamide.

Molecular Properties

Compound Nameethane;N-formyl-2-(2-oxo-6-piperidin-4-ylbenzo[cd]indol-1-yl)pentanamide
PubChem CID167471306
Molecular FormulaC26H37N3O3
Molecular Weight439.60 g/mol
Exact Mass439.28
IUPAC Nameethane;N-formyl-2-(2-oxo-6-piperidin-4-ylbenzo[cd]indol-1-yl)pentanamide
SMILESCC.CC.CCCC(C(=O)NC=O)N1C(=O)c2cccc3c(C4CCNCC4)ccc1c23
InChIInChI=1S/C22H25N3O3.2C2H6/c1-2-4-19(21(27)24-13-26)25-18-8-7-15(14-9-11-23-12-10-14)16-5-3-6-17(20(16)18)22(25)28;2*1-2/h3,5-8,13-14,19,23H,2,4,9-12H2,1H3,(H,24,26,27);2*1-2H3
InChIKeyRFXGQQKWOPRQKK-UHFFFAOYSA-N
XLogP4.76
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.60
LogP ≤ 54.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethane;N-formyl-2-(2-oxo-6-piperidin-4-ylbenzo[cd]indol-1-yl)pentanamide?
The IUPAC name of ethane;N-formyl-2-(2-oxo-6-piperidin-4-ylbenzo[cd]indol-1-yl)pentanamide (CID 167471306) is ethane;N-formyl-2-(2-oxo-6-piperidin-4-ylbenzo[cd]indol-1-yl)pentanamide.
What is the SMILES notation for ethane;N-formyl-2-(2-oxo-6-piperidin-4-ylbenzo[cd]indol-1-yl)pentanamide?
The canonical SMILES for ethane;N-formyl-2-(2-oxo-6-piperidin-4-ylbenzo[cd]indol-1-yl)pentanamide is CC.CC.CCCC(C(=O)NC=O)N1C(=O)c2cccc3c(C4CCNCC4)ccc1c23.
What is the InChIKey of ethane;N-formyl-2-(2-oxo-6-piperidin-4-ylbenzo[cd]indol-1-yl)pentanamide?
The InChIKey is RFXGQQKWOPRQKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O3.2C2H6/c1-2-4-19(21(27)24-13-26)25-18-8-7-15(14-9-11-23-12-10-14)16-5-3-6-17(20(16)18)22(25)28;2*1-2/h3,5-8,13-14,19,23H,2,4,9-12H2,1H3,(H,24,26,27);2*1-2H3.
What are the key properties of ethane;N-formyl-2-(2-oxo-6-piperidin-4-ylbenzo[cd]indol-1-yl)pentanamide?
ethane;N-formyl-2-(2-oxo-6-piperidin-4-ylbenzo[cd]indol-1-yl)pentanamide has a molecular weight of 439.60 g/mol, XLogP of 4.76, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-formyl-2-(2-oxo-6-piperidin-4-ylbenzo[cd]indol-1-yl)pentanamide is sourced from PubChem (CID 167471306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).