1-ethyl-N-[[4-(3-oxopiperazin-1-yl)phenyl]methyl]indole-2-carboxamide

C22H24N4O2 — CID 55959478

IUPAC1-ethyl-N-[[4-(3-oxopiperazin-1-yl)phenyl]methyl]indole-2-carboxamide
SMILESCCn1c(C(=O)NCc2ccc(N3CCNC(=O)C3)cc2)cc2ccccc21
InChIInChI=1S/C22H24N4O2/c1-2-26-19-6-4-3-5-17(19)13-20(26)22(28)24-14-16-7-9-18(10-8-16)25-12-11-23-21(27)15-25/h3-10,13H,2,11-12,14-15H2,1H3,(H,23,27)(H,24,28)
InChIKeyUKOYVBFIMYKHDF-UHFFFAOYSA-N
MW376.46 g/mol
LogP2.53
Rot. Bonds5

About 1-ethyl-N-[[4-(3-oxopiperazin-1-yl)phenyl]methyl]indole-2-carboxamide

1-ethyl-N-[[4-(3-oxopiperazin-1-yl)phenyl]methyl]indole-2-carboxamide (PubChem CID 55959478) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is 1-ethyl-N-[[4-(3-oxopiperazin-1-yl)phenyl]methyl]indole-2-carboxamide.

Molecular Properties

Compound Name1-ethyl-N-[[4-(3-oxopiperazin-1-yl)phenyl]methyl]indole-2-carboxamide
PubChem CID55959478
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC Name1-ethyl-N-[[4-(3-oxopiperazin-1-yl)phenyl]methyl]indole-2-carboxamide
SMILESCCn1c(C(=O)NCc2ccc(N3CCNC(=O)C3)cc2)cc2ccccc21
InChIInChI=1S/C22H24N4O2/c1-2-26-19-6-4-3-5-17(19)13-20(26)22(28)24-14-16-7-9-18(10-8-16)25-12-11-23-21(27)15-25/h3-10,13H,2,11-12,14-15H2,1H3,(H,23,27)(H,24,28)
InChIKeyUKOYVBFIMYKHDF-UHFFFAOYSA-N
XLogP2.53
TPSA66.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-[[4-(3-oxopiperazin-1-yl)phenyl]methyl]indole-2-carboxamide?
The IUPAC name of 1-ethyl-N-[[4-(3-oxopiperazin-1-yl)phenyl]methyl]indole-2-carboxamide (CID 55959478) is 1-ethyl-N-[[4-(3-oxopiperazin-1-yl)phenyl]methyl]indole-2-carboxamide.
What is the SMILES notation for 1-ethyl-N-[[4-(3-oxopiperazin-1-yl)phenyl]methyl]indole-2-carboxamide?
The canonical SMILES for 1-ethyl-N-[[4-(3-oxopiperazin-1-yl)phenyl]methyl]indole-2-carboxamide is CCn1c(C(=O)NCc2ccc(N3CCNC(=O)C3)cc2)cc2ccccc21.
What is the InChIKey of 1-ethyl-N-[[4-(3-oxopiperazin-1-yl)phenyl]methyl]indole-2-carboxamide?
The InChIKey is UKOYVBFIMYKHDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2/c1-2-26-19-6-4-3-5-17(19)13-20(26)22(28)24-14-16-7-9-18(10-8-16)25-12-11-23-21(27)15-25/h3-10,13H,2,11-12,14-15H2,1H3,(H,23,27)(H,24,28).
What are the key properties of 1-ethyl-N-[[4-(3-oxopiperazin-1-yl)phenyl]methyl]indole-2-carboxamide?
1-ethyl-N-[[4-(3-oxopiperazin-1-yl)phenyl]methyl]indole-2-carboxamide has a molecular weight of 376.46 g/mol, XLogP of 2.53, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-[[4-(3-oxopiperazin-1-yl)phenyl]methyl]indole-2-carboxamide is sourced from PubChem (CID 55959478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).