2-[2-(1-aminoethyl)piperidine-1-carbonyl]-3-methyl-6,7-dihydro-5H-1-benzofuran-4-one

C17H24N2O3 — CID 119435995

IUPAC2-[2-(1-aminoethyl)piperidine-1-carbonyl]-3-methyl-6,7-dihydro-5H-1-benzofuran-4-one
SMILESCc1c(C(=O)N2CCCCC2C(C)N)oc2c1C(=O)CCC2
InChIInChI=1S/C17H24N2O3/c1-10-15-13(20)7-5-8-14(15)22-16(10)17(21)19-9-4-3-6-12(19)11(2)18/h11-12H,3-9,18H2,1-2H3
InChIKeySQJFFHRQERAZLH-UHFFFAOYSA-N
MW304.39 g/mol
LogP2.45
Rot. Bonds2

About 2-[2-(1-aminoethyl)piperidine-1-carbonyl]-3-methyl-6,7-dihydro-5H-1-benzofuran-4-one

2-[2-(1-aminoethyl)piperidine-1-carbonyl]-3-methyl-6,7-dihydro-5H-1-benzofuran-4-one (PubChem CID 119435995) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is 2-[2-(1-aminoethyl)piperidine-1-carbonyl]-3-methyl-6,7-dihydro-5H-1-benzofuran-4-one.

Molecular Properties

Compound Name2-[2-(1-aminoethyl)piperidine-1-carbonyl]-3-methyl-6,7-dihydro-5H-1-benzofuran-4-one
PubChem CID119435995
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC Name2-[2-(1-aminoethyl)piperidine-1-carbonyl]-3-methyl-6,7-dihydro-5H-1-benzofuran-4-one
SMILESCc1c(C(=O)N2CCCCC2C(C)N)oc2c1C(=O)CCC2
InChIInChI=1S/C17H24N2O3/c1-10-15-13(20)7-5-8-14(15)22-16(10)17(21)19-9-4-3-6-12(19)11(2)18/h11-12H,3-9,18H2,1-2H3
InChIKeySQJFFHRQERAZLH-UHFFFAOYSA-N
XLogP2.45
TPSA76.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[2-(1-aminoethyl)piperidine-1-carbonyl]-3-methyl-6,7-dihydro-5H-1-benzofuran-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-methyl-2-(2-phenylazepane-1-carbonyl)-6,7-dihydro-5H-1-benzofuran-4-one
CID 112845995
[2-(1-aminoethyl)piperidin-1-yl]-(2,4-dimethyl-1,3-oxazol-5-yl)methanone
CID 81476373
[2-(1-aminoethyl)piperidin-1-yl]-(3,5-dimethylfuran-2-yl)methanone;hydrochloride
CID 119435236
5-[2-(1-aminoethyl)piperidine-1-carbonyl]-N-methylfuran-2-sulfonamide
CID 119437647
2-[4-(2,5-dimethylfuran-3-carbonyl)piperazine-1-carbonyl]-3-methyl-6,7-dihydro-5H-1-benzofuran-4-one
CID 138994939
4-[(3-methyl-4-oxo-6,7-dihydro-5H-1-benzofuran-2-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 119230371
[2-(1-aminoethyl)piperidin-1-yl]-(2-hydroxyphenyl)methanone
CID 63254989
[2-(1-aminoethyl)piperidin-1-yl]-pyrrolidin-1-ylmethanone
CID 79161243
5-[(2S)-2-[(1R)-1-aminoethyl]piperidine-1-carbonyl]-3-methyl-1H-pyrimidine-2,4-dione
CID 125120155
[(2S)-2-[(1S)-1-aminoethyl]piperidin-1-yl]-(4-methylthiophen-3-yl)methanone
CID 124516853
2-methyl-3-[(2R)-2-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carbonyl]-6,7-dihydro-5H-1-benzofuran-4-one
CID 125157233
[2-(1-aminoethyl)piperidin-1-yl]-(5-methyloxolan-2-yl)methanone
CID 81330680

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-aminoethyl)piperidine-1-carbonyl]-3-methyl-6,7-dihydro-5H-1-benzofuran-4-one?
The IUPAC name of 2-[2-(1-aminoethyl)piperidine-1-carbonyl]-3-methyl-6,7-dihydro-5H-1-benzofuran-4-one (CID 119435995) is 2-[2-(1-aminoethyl)piperidine-1-carbonyl]-3-methyl-6,7-dihydro-5H-1-benzofuran-4-one.
What is the SMILES notation for 2-[2-(1-aminoethyl)piperidine-1-carbonyl]-3-methyl-6,7-dihydro-5H-1-benzofuran-4-one?
The canonical SMILES for 2-[2-(1-aminoethyl)piperidine-1-carbonyl]-3-methyl-6,7-dihydro-5H-1-benzofuran-4-one is Cc1c(C(=O)N2CCCCC2C(C)N)oc2c1C(=O)CCC2.
What is the InChIKey of 2-[2-(1-aminoethyl)piperidine-1-carbonyl]-3-methyl-6,7-dihydro-5H-1-benzofuran-4-one?
The InChIKey is SQJFFHRQERAZLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3/c1-10-15-13(20)7-5-8-14(15)22-16(10)17(21)19-9-4-3-6-12(19)11(2)18/h11-12H,3-9,18H2,1-2H3.
What are the key properties of 2-[2-(1-aminoethyl)piperidine-1-carbonyl]-3-methyl-6,7-dihydro-5H-1-benzofuran-4-one?
2-[2-(1-aminoethyl)piperidine-1-carbonyl]-3-methyl-6,7-dihydro-5H-1-benzofuran-4-one has a molecular weight of 304.39 g/mol, XLogP of 2.45, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-aminoethyl)piperidine-1-carbonyl]-3-methyl-6,7-dihydro-5H-1-benzofuran-4-one is sourced from PubChem (CID 119435995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).