1-(1-propan-2-ylindol-3-yl)-3-(2-pyrrolidin-1-ylethylamino)propan-1-one

C20H29N3O — CID 90300339

IUPAC1-(1-propan-2-ylindol-3-yl)-3-(2-pyrrolidin-1-ylethylamino)propan-1-one
SMILESCC(C)n1cc(C(=O)CCNCCN2CCCC2)c2ccccc21
InChIInChI=1S/C20H29N3O/c1-16(2)23-15-18(17-7-3-4-8-19(17)23)20(24)9-10-21-11-14-22-12-5-6-13-22/h3-4,7-8,15-16,21H,5-6,9-14H2,1-2H3
InChIKeyWJYRGSFDKNPVPS-UHFFFAOYSA-N
MW327.47 g/mol
LogP3.48
Rot. Bonds8

About 1-(1-propan-2-ylindol-3-yl)-3-(2-pyrrolidin-1-ylethylamino)propan-1-one

1-(1-propan-2-ylindol-3-yl)-3-(2-pyrrolidin-1-ylethylamino)propan-1-one (PubChem CID 90300339) has the molecular formula C20H29N3O and a molecular weight of 327.47 g/mol. Its IUPAC name is 1-(1-propan-2-ylindol-3-yl)-3-(2-pyrrolidin-1-ylethylamino)propan-1-one.

Molecular Properties

Compound Name1-(1-propan-2-ylindol-3-yl)-3-(2-pyrrolidin-1-ylethylamino)propan-1-one
PubChem CID90300339
Molecular FormulaC20H29N3O
Molecular Weight327.47 g/mol
Exact Mass327.23
IUPAC Name1-(1-propan-2-ylindol-3-yl)-3-(2-pyrrolidin-1-ylethylamino)propan-1-one
SMILESCC(C)n1cc(C(=O)CCNCCN2CCCC2)c2ccccc21
InChIInChI=1S/C20H29N3O/c1-16(2)23-15-18(17-7-3-4-8-19(17)23)20(24)9-10-21-11-14-22-12-5-6-13-22/h3-4,7-8,15-16,21H,5-6,9-14H2,1-2H3
InChIKeyWJYRGSFDKNPVPS-UHFFFAOYSA-N
XLogP3.48
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.47
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-oxo-N-(3-piperidin-1-ylpropyl)-2-(1-propan-2-ylindol-3-yl)acetamide;hydrochloride
CID 66739507
1-(1-methylindol-3-yl)-3-pyrrolidin-1-ylpropan-1-one;hydrochloride
CID 21270044
N-(3-morpholin-4-ylpropyl)-1-propan-2-ylindole-3-carboxamide
CID 71701659
N-[1-(3-hydroxypropyl)piperidin-4-yl]-2-oxo-2-(1-propan-2-ylindol-3-yl)acetamide
CID 46221936
2-oxo-N-(2-piperidin-1-ylethyl)-2-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)acetamide
CID 46222156
1-(4-methylnaphthalen-1-yl)-3-pyrrolidin-1-ylpropan-1-one
CID 82050959
N-(1-ethylpiperidin-4-yl)-2-oxo-2-(1-propan-2-ylindol-3-yl)acetamide
CID 46223745
3-[3-[2-oxo-2-(2-piperidin-1-ylethylamino)acetyl]indol-1-yl]propanoic acid
CID 66739470
[1-[2-(azepan-1-yl)ethyl]indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone
CID 11537904
N-[2-(benzimidazol-1-yl)ethyl]-1-propan-2-ylindole-3-carboxamide
CID 71705073
N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-1-propan-2-ylindole-3-carboxamide
CID 97266405
(Z)-but-2-enedioic acid;3-(5-methyl-1H-imidazol-4-yl)-1-(1-propan-2-ylindol-3-yl)propan-1-one
CID 70056235

Frequently Asked Questions

What is the IUPAC name of 1-(1-propan-2-ylindol-3-yl)-3-(2-pyrrolidin-1-ylethylamino)propan-1-one?
The IUPAC name of 1-(1-propan-2-ylindol-3-yl)-3-(2-pyrrolidin-1-ylethylamino)propan-1-one (CID 90300339) is 1-(1-propan-2-ylindol-3-yl)-3-(2-pyrrolidin-1-ylethylamino)propan-1-one.
What is the SMILES notation for 1-(1-propan-2-ylindol-3-yl)-3-(2-pyrrolidin-1-ylethylamino)propan-1-one?
The canonical SMILES for 1-(1-propan-2-ylindol-3-yl)-3-(2-pyrrolidin-1-ylethylamino)propan-1-one is CC(C)n1cc(C(=O)CCNCCN2CCCC2)c2ccccc21.
What is the InChIKey of 1-(1-propan-2-ylindol-3-yl)-3-(2-pyrrolidin-1-ylethylamino)propan-1-one?
The InChIKey is WJYRGSFDKNPVPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O/c1-16(2)23-15-18(17-7-3-4-8-19(17)23)20(24)9-10-21-11-14-22-12-5-6-13-22/h3-4,7-8,15-16,21H,5-6,9-14H2,1-2H3.
What are the key properties of 1-(1-propan-2-ylindol-3-yl)-3-(2-pyrrolidin-1-ylethylamino)propan-1-one?
1-(1-propan-2-ylindol-3-yl)-3-(2-pyrrolidin-1-ylethylamino)propan-1-one has a molecular weight of 327.47 g/mol, XLogP of 3.48, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-propan-2-ylindol-3-yl)-3-(2-pyrrolidin-1-ylethylamino)propan-1-one is sourced from PubChem (CID 90300339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).