2,3-dihydroindol-1-yl-[(3S)-3-[[methyl(propyl)amino]methyl]pyrrolidin-1-yl]methanone

C18H27N3O — CID 99814553

IUPAC2,3-dihydroindol-1-yl-[(3S)-3-[[methyl(propyl)amino]methyl]pyrrolidin-1-yl]methanone
SMILESCCCN(C)C[C@@H]1CCN(C(=O)N2CCc3ccccc32)C1
InChIInChI=1S/C18H27N3O/c1-3-10-19(2)13-15-8-11-20(14-15)18(22)21-12-9-16-6-4-5-7-17(16)21/h4-7,15H,3,8-14H2,1-2H3/t15-/m0/s1
InChIKeyLPTQIDFSRGHZBX-HNNXBMFYSA-N
MW301.43 g/mol
LogP2.83
Rot. Bonds4

About 2,3-dihydroindol-1-yl-[(3S)-3-[[methyl(propyl)amino]methyl]pyrrolidin-1-yl]methanone

2,3-dihydroindol-1-yl-[(3S)-3-[[methyl(propyl)amino]methyl]pyrrolidin-1-yl]methanone (PubChem CID 99814553) has the molecular formula C18H27N3O and a molecular weight of 301.43 g/mol. Its IUPAC name is 2,3-dihydroindol-1-yl-[(3S)-3-[[methyl(propyl)amino]methyl]pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name2,3-dihydroindol-1-yl-[(3S)-3-[[methyl(propyl)amino]methyl]pyrrolidin-1-yl]methanone
PubChem CID99814553
Molecular FormulaC18H27N3O
Molecular Weight301.43 g/mol
Exact Mass301.22
IUPAC Name2,3-dihydroindol-1-yl-[(3S)-3-[[methyl(propyl)amino]methyl]pyrrolidin-1-yl]methanone
SMILESCCCN(C)C[C@@H]1CCN(C(=O)N2CCc3ccccc32)C1
InChIInChI=1S/C18H27N3O/c1-3-10-19(2)13-15-8-11-20(14-15)18(22)21-12-9-16-6-4-5-7-17(16)21/h4-7,15H,3,8-14H2,1-2H3/t15-/m0/s1
InChIKeyLPTQIDFSRGHZBX-HNNXBMFYSA-N
XLogP2.83
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.43
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3-aminophenyl)-[3-[[methyl(propyl)amino]methyl]pyrrolidin-1-yl]methanone
CID 119895929
3,4-dihydro-2H-quinolin-1-yl-(4-methylpiperidin-1-yl)methanone
CID 108987982
2,3-dihydroindol-1-yl-[(3R)-3-(3,5-dimethoxyphenyl)pyrrolidin-1-yl]methanone
CID 99818768
3-amino-1-[3-[[methyl(propyl)amino]methyl]pyrrolidin-1-yl]butan-1-one
CID 119895941
(3S)-N-(3-cyanophenyl)-3-[[methyl(propyl)amino]methyl]pyrrolidine-1-carboxamide
CID 95783482
N-[(3R)-1-(2,3-dihydroindole-1-carbonyl)piperidin-3-yl]methanesulfonamide
CID 124861937
3-benzyl-N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-N'-methylpyrrolidine-1-carboximidamide
CID 111725301
(3S)-N-(2-methoxy-3-pyridinyl)-3-[[methyl(propyl)amino]methyl]pyrrolidine-1-carboxamide
CID 95783484
1-(2,3-dihydroindol-1-yl)-2-[piperidin-4-yl(propyl)amino]ethanone
CID 119932761
N,N-diethyl-2,3-dihydroindole-1-carboxamide
CID 2987329
N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-N'-methyl-3-(2-methylpropyl)pyrrolidine-1-carboximidamide;hydroiodide
CID 111734626
1-(2,3-dihydroindol-1-yl)-2-[methyl(piperidin-3-ylmethyl)amino]ethanone
CID 106637154

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroindol-1-yl-[(3S)-3-[[methyl(propyl)amino]methyl]pyrrolidin-1-yl]methanone?
The IUPAC name of 2,3-dihydroindol-1-yl-[(3S)-3-[[methyl(propyl)amino]methyl]pyrrolidin-1-yl]methanone (CID 99814553) is 2,3-dihydroindol-1-yl-[(3S)-3-[[methyl(propyl)amino]methyl]pyrrolidin-1-yl]methanone.
What is the SMILES notation for 2,3-dihydroindol-1-yl-[(3S)-3-[[methyl(propyl)amino]methyl]pyrrolidin-1-yl]methanone?
The canonical SMILES for 2,3-dihydroindol-1-yl-[(3S)-3-[[methyl(propyl)amino]methyl]pyrrolidin-1-yl]methanone is CCCN(C)C[C@@H]1CCN(C(=O)N2CCc3ccccc32)C1.
What is the InChIKey of 2,3-dihydroindol-1-yl-[(3S)-3-[[methyl(propyl)amino]methyl]pyrrolidin-1-yl]methanone?
The InChIKey is LPTQIDFSRGHZBX-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H27N3O/c1-3-10-19(2)13-15-8-11-20(14-15)18(22)21-12-9-16-6-4-5-7-17(16)21/h4-7,15H,3,8-14H2,1-2H3/t15-/m0/s1.
What are the key properties of 2,3-dihydroindol-1-yl-[(3S)-3-[[methyl(propyl)amino]methyl]pyrrolidin-1-yl]methanone?
2,3-dihydroindol-1-yl-[(3S)-3-[[methyl(propyl)amino]methyl]pyrrolidin-1-yl]methanone has a molecular weight of 301.43 g/mol, XLogP of 2.83, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroindol-1-yl-[(3S)-3-[[methyl(propyl)amino]methyl]pyrrolidin-1-yl]methanone is sourced from PubChem (CID 99814553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).