2-[4-(1-methylindole-3-carbonyl)piperazin-1-yl]-2-oxo-N-propan-2-ylacetamide

C19H24N4O3 — CID 51279098

IUPAC2-[4-(1-methylindole-3-carbonyl)piperazin-1-yl]-2-oxo-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)C(=O)N1CCN(C(=O)c2cn(C)c3ccccc23)CC1
InChIInChI=1S/C19H24N4O3/c1-13(2)20-17(24)19(26)23-10-8-22(9-11-23)18(25)15-12-21(3)16-7-5-4-6-14(15)16/h4-7,12-13H,8-11H2,1-3H3,(H,20,24)
InChIKeyGLYMRIYEOWBIKR-UHFFFAOYSA-N
MW356.43 g/mol
LogP0.99
Rot. Bonds2

About 2-[4-(1-methylindole-3-carbonyl)piperazin-1-yl]-2-oxo-N-propan-2-ylacetamide

2-[4-(1-methylindole-3-carbonyl)piperazin-1-yl]-2-oxo-N-propan-2-ylacetamide (PubChem CID 51279098) has the molecular formula C19H24N4O3 and a molecular weight of 356.43 g/mol. Its IUPAC name is 2-[4-(1-methylindole-3-carbonyl)piperazin-1-yl]-2-oxo-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[4-(1-methylindole-3-carbonyl)piperazin-1-yl]-2-oxo-N-propan-2-ylacetamide
PubChem CID51279098
Molecular FormulaC19H24N4O3
Molecular Weight356.43 g/mol
Exact Mass356.18
IUPAC Name2-[4-(1-methylindole-3-carbonyl)piperazin-1-yl]-2-oxo-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)C(=O)N1CCN(C(=O)c2cn(C)c3ccccc23)CC1
InChIInChI=1S/C19H24N4O3/c1-13(2)20-17(24)19(26)23-10-8-22(9-11-23)18(25)15-12-21(3)16-7-5-4-6-14(15)16/h4-7,12-13H,8-11H2,1-3H3,(H,20,24)
InChIKeyGLYMRIYEOWBIKR-UHFFFAOYSA-N
XLogP0.99
TPSA74.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(1-methyl-2-oxoquinoline-4-carbonyl)piperazin-1-yl]-2-oxo-N-propan-2-ylacetamide
CID 55759278
azetidin-1-yl-(1-methylindol-3-yl)methanone
CID 17458441
(1-methylindol-3-yl)-pyrrolidin-1-ylmethanone
CID 4207786
1-[4-(1-methylindole-3-carbonyl)-1,4-diazepan-1-yl]ethanone
CID 110805536
2-[4-(naphthalene-1-carbonyl)piperazin-1-yl]-2-oxo-N-propan-2-ylacetamide
CID 51278984
4-(1-methylindole-3-carbonyl)piperazine-1-carbaldehyde
CID 110762463
N-cyclopropyl-2-[4-(1-methylindole-3-carbonyl)piperazin-1-yl]propanamide
CID 46448196
[4-(1-methylindole-3-carbonyl)-1,4-diazepan-1-yl]-pyridin-4-ylmethanone
CID 110808586
(3,4-dihydroxypyrrolidin-1-yl)-(1-methylindol-3-yl)methanone
CID 106671237
(4-hydroxy-4-methylazepan-1-yl)-(1-methylindol-3-yl)methanone
CID 107406447
1-[4-(1-methylindole-3-carbonyl)piperazin-1-yl]pentan-1-one
CID 110800667
(3-bromophenyl)-[4-(1-methylindole-3-carbonyl)piperazin-1-yl]methanone
CID 29139468

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-methylindole-3-carbonyl)piperazin-1-yl]-2-oxo-N-propan-2-ylacetamide?
The IUPAC name of 2-[4-(1-methylindole-3-carbonyl)piperazin-1-yl]-2-oxo-N-propan-2-ylacetamide (CID 51279098) is 2-[4-(1-methylindole-3-carbonyl)piperazin-1-yl]-2-oxo-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[4-(1-methylindole-3-carbonyl)piperazin-1-yl]-2-oxo-N-propan-2-ylacetamide?
The canonical SMILES for 2-[4-(1-methylindole-3-carbonyl)piperazin-1-yl]-2-oxo-N-propan-2-ylacetamide is CC(C)NC(=O)C(=O)N1CCN(C(=O)c2cn(C)c3ccccc23)CC1.
What is the InChIKey of 2-[4-(1-methylindole-3-carbonyl)piperazin-1-yl]-2-oxo-N-propan-2-ylacetamide?
The InChIKey is GLYMRIYEOWBIKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O3/c1-13(2)20-17(24)19(26)23-10-8-22(9-11-23)18(25)15-12-21(3)16-7-5-4-6-14(15)16/h4-7,12-13H,8-11H2,1-3H3,(H,20,24).
What are the key properties of 2-[4-(1-methylindole-3-carbonyl)piperazin-1-yl]-2-oxo-N-propan-2-ylacetamide?
2-[4-(1-methylindole-3-carbonyl)piperazin-1-yl]-2-oxo-N-propan-2-ylacetamide has a molecular weight of 356.43 g/mol, XLogP of 0.99, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-methylindole-3-carbonyl)piperazin-1-yl]-2-oxo-N-propan-2-ylacetamide is sourced from PubChem (CID 51279098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).