1-[[2-[4-(ethylaminomethyl)piperidine-1-carbonyl]furan-3-yl]methyl]-3H-indol-2-one

C22H27N3O3 — CID 119645188

IUPAC1-[[2-[4-(ethylaminomethyl)piperidine-1-carbonyl]furan-3-yl]methyl]-3H-indol-2-one
SMILESCCNCC1CCN(C(=O)c2occc2CN2C(=O)Cc3ccccc32)CC1
InChIInChI=1S/C22H27N3O3/c1-2-23-14-16-7-10-24(11-8-16)22(27)21-18(9-12-28-21)15-25-19-6-4-3-5-17(19)13-20(25)26/h3-6,9,12,16,23H,2,7-8,10-11,13-15H2,1H3
InChIKeyARDHFOSACZLIOI-UHFFFAOYSA-N
MW381.48 g/mol
LogP2.83
Rot. Bonds6

About 1-[[2-[4-(ethylaminomethyl)piperidine-1-carbonyl]furan-3-yl]methyl]-3H-indol-2-one

1-[[2-[4-(ethylaminomethyl)piperidine-1-carbonyl]furan-3-yl]methyl]-3H-indol-2-one (PubChem CID 119645188) has the molecular formula C22H27N3O3 and a molecular weight of 381.48 g/mol. Its IUPAC name is 1-[[2-[4-(ethylaminomethyl)piperidine-1-carbonyl]furan-3-yl]methyl]-3H-indol-2-one.

Molecular Properties

Compound Name1-[[2-[4-(ethylaminomethyl)piperidine-1-carbonyl]furan-3-yl]methyl]-3H-indol-2-one
PubChem CID119645188
Molecular FormulaC22H27N3O3
Molecular Weight381.48 g/mol
Exact Mass381.21
IUPAC Name1-[[2-[4-(ethylaminomethyl)piperidine-1-carbonyl]furan-3-yl]methyl]-3H-indol-2-one
SMILESCCNCC1CCN(C(=O)c2occc2CN2C(=O)Cc3ccccc32)CC1
InChIInChI=1S/C22H27N3O3/c1-2-23-14-16-7-10-24(11-8-16)22(27)21-18(9-12-28-21)15-25-19-6-4-3-5-17(19)13-20(25)26/h3-6,9,12,16,23H,2,7-8,10-11,13-15H2,1H3
InChIKeyARDHFOSACZLIOI-UHFFFAOYSA-N
XLogP2.83
TPSA65.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[[2-[4-(ethylaminomethyl)piperidine-1-carbonyl]furan-3-yl]methyl]-3H-indol-2-one?
The IUPAC name of 1-[[2-[4-(ethylaminomethyl)piperidine-1-carbonyl]furan-3-yl]methyl]-3H-indol-2-one (CID 119645188) is 1-[[2-[4-(ethylaminomethyl)piperidine-1-carbonyl]furan-3-yl]methyl]-3H-indol-2-one.
What is the SMILES notation for 1-[[2-[4-(ethylaminomethyl)piperidine-1-carbonyl]furan-3-yl]methyl]-3H-indol-2-one?
The canonical SMILES for 1-[[2-[4-(ethylaminomethyl)piperidine-1-carbonyl]furan-3-yl]methyl]-3H-indol-2-one is CCNCC1CCN(C(=O)c2occc2CN2C(=O)Cc3ccccc32)CC1.
What is the InChIKey of 1-[[2-[4-(ethylaminomethyl)piperidine-1-carbonyl]furan-3-yl]methyl]-3H-indol-2-one?
The InChIKey is ARDHFOSACZLIOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O3/c1-2-23-14-16-7-10-24(11-8-16)22(27)21-18(9-12-28-21)15-25-19-6-4-3-5-17(19)13-20(25)26/h3-6,9,12,16,23H,2,7-8,10-11,13-15H2,1H3.
What are the key properties of 1-[[2-[4-(ethylaminomethyl)piperidine-1-carbonyl]furan-3-yl]methyl]-3H-indol-2-one?
1-[[2-[4-(ethylaminomethyl)piperidine-1-carbonyl]furan-3-yl]methyl]-3H-indol-2-one has a molecular weight of 381.48 g/mol, XLogP of 2.83, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-[4-(ethylaminomethyl)piperidine-1-carbonyl]furan-3-yl]methyl]-3H-indol-2-one is sourced from PubChem (CID 119645188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).