1-[[2-[3-(methylaminomethyl)piperidine-1-carbonyl]furan-3-yl]methyl]-3H-indol-2-one

C21H25N3O3 — CID 119395775

IUPAC1-[[2-[3-(methylaminomethyl)piperidine-1-carbonyl]furan-3-yl]methyl]-3H-indol-2-one
SMILESCNCC1CCCN(C(=O)c2occc2CN2C(=O)Cc3ccccc32)C1
InChIInChI=1S/C21H25N3O3/c1-22-12-15-5-4-9-23(13-15)21(26)20-17(8-10-27-20)14-24-18-7-3-2-6-16(18)11-19(24)25/h2-3,6-8,10,15,22H,4-5,9,11-14H2,1H3
InChIKeyBTWCSRDMJIKXPZ-UHFFFAOYSA-N
MW367.45 g/mol
LogP2.44
Rot. Bonds5

About 1-[[2-[3-(methylaminomethyl)piperidine-1-carbonyl]furan-3-yl]methyl]-3H-indol-2-one

1-[[2-[3-(methylaminomethyl)piperidine-1-carbonyl]furan-3-yl]methyl]-3H-indol-2-one (PubChem CID 119395775) has the molecular formula C21H25N3O3 and a molecular weight of 367.45 g/mol. Its IUPAC name is 1-[[2-[3-(methylaminomethyl)piperidine-1-carbonyl]furan-3-yl]methyl]-3H-indol-2-one.

Molecular Properties

Compound Name1-[[2-[3-(methylaminomethyl)piperidine-1-carbonyl]furan-3-yl]methyl]-3H-indol-2-one
PubChem CID119395775
Molecular FormulaC21H25N3O3
Molecular Weight367.45 g/mol
Exact Mass367.19
IUPAC Name1-[[2-[3-(methylaminomethyl)piperidine-1-carbonyl]furan-3-yl]methyl]-3H-indol-2-one
SMILESCNCC1CCCN(C(=O)c2occc2CN2C(=O)Cc3ccccc32)C1
InChIInChI=1S/C21H25N3O3/c1-22-12-15-5-4-9-23(13-15)21(26)20-17(8-10-27-20)14-24-18-7-3-2-6-16(18)11-19(24)25/h2-3,6-8,10,15,22H,4-5,9,11-14H2,1H3
InChIKeyBTWCSRDMJIKXPZ-UHFFFAOYSA-N
XLogP2.44
TPSA65.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[[2-[3-(methylaminomethyl)piperidine-1-carbonyl]furan-3-yl]methyl]-3H-indol-2-one with MolForge

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Related Compounds

1-[[2-[(3S)-3-(aminomethyl)pyrrolidine-1-carbonyl]furan-3-yl]methyl]-3H-indol-2-one
CID 125146734
1-[[2-[3-(1-aminoethyl)piperidine-1-carbonyl]furan-3-yl]methyl]-3H-indol-2-one;hydrochloride
CID 119593691
1-[3-[(2-oxo-3H-indol-1-yl)methyl]furan-2-carbonyl]pyrrolidine-3-carboxylic acid
CID 119354664
1-[[2-[2-(hydroxymethyl)morpholine-4-carbonyl]furan-3-yl]methyl]-3H-indol-2-one
CID 154858387
[3-(methylaminomethyl)pyrrolidin-1-yl]-[3-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-2-yl]methanone;dihydrochloride
CID 119540326
N-(4-aminocyclohexyl)-3-[(2-oxo-3H-indol-1-yl)methyl]furan-2-carboxamide
CID 119475490
2-[3-(methylaminomethyl)piperidine-1-carbonyl]benzoic acid
CID 61403916
N-(2-amino-1-cyclopropylethyl)-3-[(2-oxo-3H-indol-1-yl)methyl]furan-2-carboxamide
CID 119613936
[3-(methylaminomethyl)piperidin-1-yl]-(3-methyl-1-benzofuran-2-yl)methanone;hydrochloride
CID 119398830
(2-chlorofuran-3-yl)-[3-(methylaminomethyl)piperidin-1-yl]methanone
CID 106688448
N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-[(2-oxo-3H-indol-1-yl)methyl]furan-2-carboxamide;hydrochloride
CID 120944653
N-methyl-3-[(2-oxo-3H-indol-1-yl)methyl]-N-[(3S)-pyrrolidin-3-yl]furan-2-carboxamide
CID 125146446

Frequently Asked Questions

What is the IUPAC name of 1-[[2-[3-(methylaminomethyl)piperidine-1-carbonyl]furan-3-yl]methyl]-3H-indol-2-one?
The IUPAC name of 1-[[2-[3-(methylaminomethyl)piperidine-1-carbonyl]furan-3-yl]methyl]-3H-indol-2-one (CID 119395775) is 1-[[2-[3-(methylaminomethyl)piperidine-1-carbonyl]furan-3-yl]methyl]-3H-indol-2-one.
What is the SMILES notation for 1-[[2-[3-(methylaminomethyl)piperidine-1-carbonyl]furan-3-yl]methyl]-3H-indol-2-one?
The canonical SMILES for 1-[[2-[3-(methylaminomethyl)piperidine-1-carbonyl]furan-3-yl]methyl]-3H-indol-2-one is CNCC1CCCN(C(=O)c2occc2CN2C(=O)Cc3ccccc32)C1.
What is the InChIKey of 1-[[2-[3-(methylaminomethyl)piperidine-1-carbonyl]furan-3-yl]methyl]-3H-indol-2-one?
The InChIKey is BTWCSRDMJIKXPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O3/c1-22-12-15-5-4-9-23(13-15)21(26)20-17(8-10-27-20)14-24-18-7-3-2-6-16(18)11-19(24)25/h2-3,6-8,10,15,22H,4-5,9,11-14H2,1H3.
What are the key properties of 1-[[2-[3-(methylaminomethyl)piperidine-1-carbonyl]furan-3-yl]methyl]-3H-indol-2-one?
1-[[2-[3-(methylaminomethyl)piperidine-1-carbonyl]furan-3-yl]methyl]-3H-indol-2-one has a molecular weight of 367.45 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-[3-(methylaminomethyl)piperidine-1-carbonyl]furan-3-yl]methyl]-3H-indol-2-one is sourced from PubChem (CID 119395775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).