N-(1-ethylpiperidin-4-yl)-2-oxo-2-(1-propan-2-ylindol-3-yl)acetamide

C20H27N3O2 — CID 46223745

IUPACN-(1-ethylpiperidin-4-yl)-2-oxo-2-(1-propan-2-ylindol-3-yl)acetamide
SMILESCCN1CCC(NC(=O)C(=O)c2cn(C(C)C)c3ccccc23)CC1
InChIInChI=1S/C20H27N3O2/c1-4-22-11-9-15(10-12-22)21-20(25)19(24)17-13-23(14(2)3)18-8-6-5-7-16(17)18/h5-8,13-15H,4,9-12H2,1-3H3,(H,21,25)
InChIKeyWTMBDWLZHQSIMN-UHFFFAOYSA-N
MW341.45 g/mol
LogP3.01
Rot. Bonds5

About N-(1-ethylpiperidin-4-yl)-2-oxo-2-(1-propan-2-ylindol-3-yl)acetamide

N-(1-ethylpiperidin-4-yl)-2-oxo-2-(1-propan-2-ylindol-3-yl)acetamide (PubChem CID 46223745) has the molecular formula C20H27N3O2 and a molecular weight of 341.45 g/mol. Its IUPAC name is N-(1-ethylpiperidin-4-yl)-2-oxo-2-(1-propan-2-ylindol-3-yl)acetamide.

Molecular Properties

Compound NameN-(1-ethylpiperidin-4-yl)-2-oxo-2-(1-propan-2-ylindol-3-yl)acetamide
PubChem CID46223745
Molecular FormulaC20H27N3O2
Molecular Weight341.45 g/mol
Exact Mass341.21
IUPAC NameN-(1-ethylpiperidin-4-yl)-2-oxo-2-(1-propan-2-ylindol-3-yl)acetamide
SMILESCCN1CCC(NC(=O)C(=O)c2cn(C(C)C)c3ccccc23)CC1
InChIInChI=1S/C20H27N3O2/c1-4-22-11-9-15(10-12-22)21-20(25)19(24)17-13-23(14(2)3)18-8-6-5-7-16(17)18/h5-8,13-15H,4,9-12H2,1-3H3,(H,21,25)
InChIKeyWTMBDWLZHQSIMN-UHFFFAOYSA-N
XLogP3.01
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.45
LogP ≤ 53.01
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

N-[1-(3-hydroxypropyl)piperidin-4-yl]-2-oxo-2-(1-propan-2-ylindol-3-yl)acetamide
CID 46221936
tert-butyl 4-[[2-oxo-2-(1-propan-2-ylindol-3-yl)acetyl]amino]piperidine-1-carboxylate
CID 59438573
2-oxo-N-(3-piperidin-1-ylpropyl)-2-(1-propan-2-ylindol-3-yl)acetamide;hydrochloride
CID 66739507
N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-1-propan-2-ylindole-3-carboxamide
CID 97266405
4-amino-N-(1-ethylpiperidin-4-yl)-1-propan-2-ylpyrrole-2-carboxamide
CID 61139289
1-[(1-ethylpiperidin-4-yl)methyl]indole-3-carboxylic acid
CID 54164902
1-(1-propan-2-ylindol-3-yl)-3-(2-pyrrolidin-1-ylethylamino)propan-1-one
CID 90300339
N-[1-(3-methylbut-2-enyl)piperidin-4-yl]-1-(2-methylpropyl)indole-3-carboxamide
CID 56568890
[1-(cyclohexylamino)-1-oxopropan-2-yl] 1-ethylindole-3-carboxylate
CID 46640535
N-(3-morpholin-4-ylpropyl)-1-propan-2-ylindole-3-carboxamide
CID 71701659
2-amino-N-(1-ethylpiperidin-4-yl)-3-phenylpropanamide
CID 61039141
methyl 2-[(1-ethylpiperidin-4-yl)carbamoylamino]benzoate
CID 6465197

Frequently Asked Questions

What is the IUPAC name of N-(1-ethylpiperidin-4-yl)-2-oxo-2-(1-propan-2-ylindol-3-yl)acetamide?
The IUPAC name of N-(1-ethylpiperidin-4-yl)-2-oxo-2-(1-propan-2-ylindol-3-yl)acetamide (CID 46223745) is N-(1-ethylpiperidin-4-yl)-2-oxo-2-(1-propan-2-ylindol-3-yl)acetamide.
What is the SMILES notation for N-(1-ethylpiperidin-4-yl)-2-oxo-2-(1-propan-2-ylindol-3-yl)acetamide?
The canonical SMILES for N-(1-ethylpiperidin-4-yl)-2-oxo-2-(1-propan-2-ylindol-3-yl)acetamide is CCN1CCC(NC(=O)C(=O)c2cn(C(C)C)c3ccccc23)CC1.
What is the InChIKey of N-(1-ethylpiperidin-4-yl)-2-oxo-2-(1-propan-2-ylindol-3-yl)acetamide?
The InChIKey is WTMBDWLZHQSIMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O2/c1-4-22-11-9-15(10-12-22)21-20(25)19(24)17-13-23(14(2)3)18-8-6-5-7-16(17)18/h5-8,13-15H,4,9-12H2,1-3H3,(H,21,25).
What are the key properties of N-(1-ethylpiperidin-4-yl)-2-oxo-2-(1-propan-2-ylindol-3-yl)acetamide?
N-(1-ethylpiperidin-4-yl)-2-oxo-2-(1-propan-2-ylindol-3-yl)acetamide has a molecular weight of 341.45 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethylpiperidin-4-yl)-2-oxo-2-(1-propan-2-ylindol-3-yl)acetamide is sourced from PubChem (CID 46223745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).