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

C21H26ClN3O3 — CID 119593691

IUPAC1-[[2-[3-(1-aminoethyl)piperidine-1-carbonyl]furan-3-yl]methyl]-3H-indol-2-one;hydrochloride
SMILESCC(N)C1CCCN(C(=O)c2occc2CN2C(=O)Cc3ccccc32)C1.Cl
InChIInChI=1S/C21H25N3O3.ClH/c1-14(22)16-6-4-9-23(12-16)21(26)20-17(8-10-27-20)13-24-18-7-3-2-5-15(18)11-19(24)25;/h2-3,5,7-8,10,14,16H,4,6,9,11-13,22H2,1H3;1H
InChIKeyBYCXCMLZINDDGM-UHFFFAOYSA-N
MW403.91 g/mol
LogP2.99
Rot. Bonds4

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

1-[[2-[3-(1-aminoethyl)piperidine-1-carbonyl]furan-3-yl]methyl]-3H-indol-2-one;hydrochloride (PubChem CID 119593691) has the molecular formula C21H26ClN3O3 and a molecular weight of 403.91 g/mol. Its IUPAC name is 1-[[2-[3-(1-aminoethyl)piperidine-1-carbonyl]furan-3-yl]methyl]-3H-indol-2-one;hydrochloride.

Molecular Properties

Compound Name1-[[2-[3-(1-aminoethyl)piperidine-1-carbonyl]furan-3-yl]methyl]-3H-indol-2-one;hydrochloride
PubChem CID119593691
Molecular FormulaC21H26ClN3O3
Molecular Weight403.91 g/mol
Exact Mass403.17
IUPAC Name1-[[2-[3-(1-aminoethyl)piperidine-1-carbonyl]furan-3-yl]methyl]-3H-indol-2-one;hydrochloride
SMILESCC(N)C1CCCN(C(=O)c2occc2CN2C(=O)Cc3ccccc32)C1.Cl
InChIInChI=1S/C21H25N3O3.ClH/c1-14(22)16-6-4-9-23(12-16)21(26)20-17(8-10-27-20)13-24-18-7-3-2-5-15(18)11-19(24)25;/h2-3,5,7-8,10,14,16H,4,6,9,11-13,22H2,1H3;1H
InChIKeyBYCXCMLZINDDGM-UHFFFAOYSA-N
XLogP2.99
TPSA79.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.91
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Related Compounds

1-[[2-[3-(methylaminomethyl)piperidine-1-carbonyl]furan-3-yl]methyl]-3H-indol-2-one
CID 119395775
1-[[2-[(3S)-3-(aminomethyl)pyrrolidine-1-carbonyl]furan-3-yl]methyl]-3H-indol-2-one
CID 125146734
1-[3-[(2-oxo-3H-indol-1-yl)methyl]furan-2-carbonyl]pyrrolidine-3-carboxylic acid
CID 119354664
1-[[2-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]furan-3-yl]methyl]-3H-indol-2-one;hydrochloride
CID 119622525
1-[[2-[2-(hydroxymethyl)morpholine-4-carbonyl]furan-3-yl]methyl]-3H-indol-2-one
CID 154858387
1-[[2-[4-(ethylaminomethyl)piperidine-1-carbonyl]furan-3-yl]methyl]-3H-indol-2-one
CID 119645188
N-(2-amino-1-cyclopropylethyl)-3-[(2-oxo-3H-indol-1-yl)methyl]furan-2-carboxamide;hydrochloride
CID 119613935
N-(2-amino-1-cyclopropylethyl)-3-[(2-oxo-3H-indol-1-yl)methyl]furan-2-carboxamide
CID 119613936
[3-(1-aminoethyl)piperidin-1-yl]-[2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-yl]methanone;dihydrochloride
CID 119594137
N-(4-aminocyclohexyl)-3-[(2-oxo-3H-indol-1-yl)methyl]furan-2-carboxamide
CID 119475490
3-[(2-oxo-3H-indol-1-yl)methyl]-N-piperidin-3-ylfuran-2-carboxamide;hydrochloride
CID 119425394
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-(1-aminoethyl)piperidine-1-carbonyl]furan-3-yl]methyl]-3H-indol-2-one;hydrochloride?
The IUPAC name of 1-[[2-[3-(1-aminoethyl)piperidine-1-carbonyl]furan-3-yl]methyl]-3H-indol-2-one;hydrochloride (CID 119593691) is 1-[[2-[3-(1-aminoethyl)piperidine-1-carbonyl]furan-3-yl]methyl]-3H-indol-2-one;hydrochloride.
What is the SMILES notation for 1-[[2-[3-(1-aminoethyl)piperidine-1-carbonyl]furan-3-yl]methyl]-3H-indol-2-one;hydrochloride?
The canonical SMILES for 1-[[2-[3-(1-aminoethyl)piperidine-1-carbonyl]furan-3-yl]methyl]-3H-indol-2-one;hydrochloride is CC(N)C1CCCN(C(=O)c2occc2CN2C(=O)Cc3ccccc32)C1.Cl.
What is the InChIKey of 1-[[2-[3-(1-aminoethyl)piperidine-1-carbonyl]furan-3-yl]methyl]-3H-indol-2-one;hydrochloride?
The InChIKey is BYCXCMLZINDDGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O3.ClH/c1-14(22)16-6-4-9-23(12-16)21(26)20-17(8-10-27-20)13-24-18-7-3-2-5-15(18)11-19(24)25;/h2-3,5,7-8,10,14,16H,4,6,9,11-13,22H2,1H3;1H.
What are the key properties of 1-[[2-[3-(1-aminoethyl)piperidine-1-carbonyl]furan-3-yl]methyl]-3H-indol-2-one;hydrochloride?
1-[[2-[3-(1-aminoethyl)piperidine-1-carbonyl]furan-3-yl]methyl]-3H-indol-2-one;hydrochloride has a molecular weight of 403.91 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-[3-(1-aminoethyl)piperidine-1-carbonyl]furan-3-yl]methyl]-3H-indol-2-one;hydrochloride is sourced from PubChem (CID 119593691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).