N,N-diethyl-2-[3-[2-oxo-2-(4-phenylpiperazin-1-yl)acetyl]indol-1-yl]acetamide

C26H30N4O3 — CID 18562277

IUPACN,N-diethyl-2-[3-[2-oxo-2-(4-phenylpiperazin-1-yl)acetyl]indol-1-yl]acetamide
SMILESCCN(CC)C(=O)Cn1cc(C(=O)C(=O)N2CCN(c3ccccc3)CC2)c2ccccc21
InChIInChI=1S/C26H30N4O3/c1-3-27(4-2)24(31)19-30-18-22(21-12-8-9-13-23(21)30)25(32)26(33)29-16-14-28(15-17-29)20-10-6-5-7-11-20/h5-13,18H,3-4,14-17,19H2,1-2H3
InChIKeyBOERLGSYOJHJMO-UHFFFAOYSA-N
MW446.55 g/mol
LogP3.04
Rot. Bonds7

About N,N-diethyl-2-[3-[2-oxo-2-(4-phenylpiperazin-1-yl)acetyl]indol-1-yl]acetamide

N,N-diethyl-2-[3-[2-oxo-2-(4-phenylpiperazin-1-yl)acetyl]indol-1-yl]acetamide (PubChem CID 18562277) has the molecular formula C26H30N4O3 and a molecular weight of 446.55 g/mol. Its IUPAC name is N,N-diethyl-2-[3-[2-oxo-2-(4-phenylpiperazin-1-yl)acetyl]indol-1-yl]acetamide.

Molecular Properties

Compound NameN,N-diethyl-2-[3-[2-oxo-2-(4-phenylpiperazin-1-yl)acetyl]indol-1-yl]acetamide
PubChem CID18562277
Molecular FormulaC26H30N4O3
Molecular Weight446.55 g/mol
Exact Mass446.23
IUPAC NameN,N-diethyl-2-[3-[2-oxo-2-(4-phenylpiperazin-1-yl)acetyl]indol-1-yl]acetamide
SMILESCCN(CC)C(=O)Cn1cc(C(=O)C(=O)N2CCN(c3ccccc3)CC2)c2ccccc21
InChIInChI=1S/C26H30N4O3/c1-3-27(4-2)24(31)19-30-18-22(21-12-8-9-13-23(21)30)25(32)26(33)29-16-14-28(15-17-29)20-10-6-5-7-11-20/h5-13,18H,3-4,14-17,19H2,1-2H3
InChIKeyBOERLGSYOJHJMO-UHFFFAOYSA-N
XLogP3.04
TPSA65.86 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.55
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

ethyl 4-[2-[1-[2-(diethylamino)-2-oxoethyl]indol-3-yl]-2-oxoacetyl]piperazine-1-carboxylate
CID 41429456
2-[1-[2-(diethylamino)-2-oxoethyl]indol-3-yl]-N,N-diethyl-2-oxoacetamide
CID 4248908
2-[1-[2-(diethylamino)-2-oxoethyl]indol-3-yl]-N,N-dimethyl-2-oxoacetamide
CID 4248907
1-[4-(4-acetylphenyl)piperazin-1-yl]-2-[1-[2-(azepan-1-yl)-2-oxoethyl]indol-3-yl]ethane-1,2-dione
CID 24891905
2-[1-[2-(diethylamino)-2-oxoethyl]indol-3-yl]-N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]-2-oxoacetamide
CID 41429515
1-(4-benzoylpiperazin-1-yl)-2-(1-butylindol-3-yl)ethane-1,2-dione
CID 506420
1-[1-[4-[3-(2-oxo-2-pyrrolidin-1-ylacetyl)indol-1-yl]butyl]indol-3-yl]-2-pyrrolidin-1-ylethane-1,2-dione
CID 53248812
2-[1-[2-(diethylamino)-2-oxoethyl]indol-3-yl]-N-(4-methylphenyl)-2-oxoacetamide
CID 18562288
1-[1-[6-[3-(2-oxo-2-pyrrolidin-1-ylacetyl)indol-1-yl]hexyl]indol-3-yl]-2-pyrrolidin-1-ylethane-1,2-dione
CID 54580817
1-[2-[ethyl(methyl)amino]-2-oxoethyl]indole-3-carboxylic acid
CID 43309799
N,N-diethyl-2-oxo-2-[1-(2-oxo-2-piperidin-1-ylethyl)indol-3-yl]acetamide
CID 7066716
N-(3-acetamidophenyl)-2-[1-[2-(diethylamino)-2-oxoethyl]indol-3-yl]-2-oxoacetamide
CID 16832346

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[3-[2-oxo-2-(4-phenylpiperazin-1-yl)acetyl]indol-1-yl]acetamide?
The IUPAC name of N,N-diethyl-2-[3-[2-oxo-2-(4-phenylpiperazin-1-yl)acetyl]indol-1-yl]acetamide (CID 18562277) is N,N-diethyl-2-[3-[2-oxo-2-(4-phenylpiperazin-1-yl)acetyl]indol-1-yl]acetamide.
What is the SMILES notation for N,N-diethyl-2-[3-[2-oxo-2-(4-phenylpiperazin-1-yl)acetyl]indol-1-yl]acetamide?
The canonical SMILES for N,N-diethyl-2-[3-[2-oxo-2-(4-phenylpiperazin-1-yl)acetyl]indol-1-yl]acetamide is CCN(CC)C(=O)Cn1cc(C(=O)C(=O)N2CCN(c3ccccc3)CC2)c2ccccc21.
What is the InChIKey of N,N-diethyl-2-[3-[2-oxo-2-(4-phenylpiperazin-1-yl)acetyl]indol-1-yl]acetamide?
The InChIKey is BOERLGSYOJHJMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4O3/c1-3-27(4-2)24(31)19-30-18-22(21-12-8-9-13-23(21)30)25(32)26(33)29-16-14-28(15-17-29)20-10-6-5-7-11-20/h5-13,18H,3-4,14-17,19H2,1-2H3.
What are the key properties of N,N-diethyl-2-[3-[2-oxo-2-(4-phenylpiperazin-1-yl)acetyl]indol-1-yl]acetamide?
N,N-diethyl-2-[3-[2-oxo-2-(4-phenylpiperazin-1-yl)acetyl]indol-1-yl]acetamide has a molecular weight of 446.55 g/mol, XLogP of 3.04, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-[3-[2-oxo-2-(4-phenylpiperazin-1-yl)acetyl]indol-1-yl]acetamide is sourced from PubChem (CID 18562277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).