1-[5-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)-2,3-dihydroindol-1-yl]propan-1-one

C21H29N3O2 — CID 55981657

IUPAC1-[5-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)-2,3-dihydroindol-1-yl]propan-1-one
SMILESCCC(=O)N1CCc2cc(C(=O)N3CCC(N4CCCC4)CC3)ccc21
InChIInChI=1S/C21H29N3O2/c1-2-20(25)24-14-7-16-15-17(5-6-19(16)24)21(26)23-12-8-18(9-13-23)22-10-3-4-11-22/h5-6,15,18H,2-4,7-14H2,1H3
InChIKeyAATWJQLGANIJHQ-UHFFFAOYSA-N
MW355.48 g/mol
LogP2.69
Rot. Bonds3

About 1-[5-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)-2,3-dihydroindol-1-yl]propan-1-one

1-[5-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)-2,3-dihydroindol-1-yl]propan-1-one (PubChem CID 55981657) has the molecular formula C21H29N3O2 and a molecular weight of 355.48 g/mol. Its IUPAC name is 1-[5-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)-2,3-dihydroindol-1-yl]propan-1-one.

Molecular Properties

Compound Name1-[5-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)-2,3-dihydroindol-1-yl]propan-1-one
PubChem CID55981657
Molecular FormulaC21H29N3O2
Molecular Weight355.48 g/mol
Exact Mass355.23
IUPAC Name1-[5-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)-2,3-dihydroindol-1-yl]propan-1-one
SMILESCCC(=O)N1CCc2cc(C(=O)N3CCC(N4CCCC4)CC3)ccc21
InChIInChI=1S/C21H29N3O2/c1-2-20(25)24-14-7-16-15-17(5-6-19(16)24)21(26)23-12-8-18(9-13-23)22-10-3-4-11-22/h5-6,15,18H,2-4,7-14H2,1H3
InChIKeyAATWJQLGANIJHQ-UHFFFAOYSA-N
XLogP2.69
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.48
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[5-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)-2,3-dihydroindol-1-yl]propan-1-one with MolForge

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Related Compounds

1-[5-[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]-2,3-dihydroindol-1-yl]propan-1-one
CID 110023370
1-[5-(4-cyclopentylpiperazine-1-carbonyl)-2,3-dihydroindol-1-yl]ethanone
CID 134020729
1-[5-[(2R)-2-(1H-pyrrol-2-yl)pyrrolidine-1-carbonyl]-2,3-dihydroindol-1-yl]propan-1-one
CID 97025098
[4-(4-piperidin-1-ylpiperidine-1-carbonyl)phenyl]-(4-piperidin-1-ylpiperidin-1-yl)methanone
CID 70679311
1-[6-(morpholine-4-carbonyl)-2,3-dihydroindol-1-yl]propan-1-one
CID 53014611
(4-aminophenyl)-(4-piperidin-1-ylpiperidin-1-yl)methanone;dihydrochloride
CID 119842939
N-(2-hydroxyethyl)-N-methyl-1-propanoyl-2,3-dihydroindole-5-carboxamide
CID 110895331
1-propanoyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-2,3-dihydroindole-5-carboxamide
CID 51958924
ethyl 1-(1-acetyl-2,3-dihydroindole-5-carbonyl)piperidine-3-carboxylate
CID 47016940
(1-methyl-2,3-dihydroindol-5-yl)-(4-methylpiperidin-1-yl)methanone
CID 110485530
3-(4-piperidin-1-ylpiperidine-1-carbonyl)benzonitrile
CID 51090890
(3-methoxyphenyl)-(4-piperidin-1-ylpiperidin-1-yl)methanone
CID 110868482

Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)-2,3-dihydroindol-1-yl]propan-1-one?
The IUPAC name of 1-[5-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)-2,3-dihydroindol-1-yl]propan-1-one (CID 55981657) is 1-[5-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)-2,3-dihydroindol-1-yl]propan-1-one.
What is the SMILES notation for 1-[5-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)-2,3-dihydroindol-1-yl]propan-1-one?
The canonical SMILES for 1-[5-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)-2,3-dihydroindol-1-yl]propan-1-one is CCC(=O)N1CCc2cc(C(=O)N3CCC(N4CCCC4)CC3)ccc21.
What is the InChIKey of 1-[5-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)-2,3-dihydroindol-1-yl]propan-1-one?
The InChIKey is AATWJQLGANIJHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O2/c1-2-20(25)24-14-7-16-15-17(5-6-19(16)24)21(26)23-12-8-18(9-13-23)22-10-3-4-11-22/h5-6,15,18H,2-4,7-14H2,1H3.
What are the key properties of 1-[5-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)-2,3-dihydroindol-1-yl]propan-1-one?
1-[5-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)-2,3-dihydroindol-1-yl]propan-1-one has a molecular weight of 355.48 g/mol, XLogP of 2.69, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)-2,3-dihydroindol-1-yl]propan-1-one is sourced from PubChem (CID 55981657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).