2-(4-cyclopropylpiperazin-1-yl)-1-(2,3-dihydro-1-benzofuran-5-yl)ethanone

C17H22N2O2 — CID 61440412

IUPAC2-(4-cyclopropylpiperazin-1-yl)-1-(2,3-dihydro-1-benzofuran-5-yl)ethanone
SMILESO=C(CN1CCN(C2CC2)CC1)c1ccc2c(c1)CCO2
InChIInChI=1S/C17H22N2O2/c20-16(13-1-4-17-14(11-13)5-10-21-17)12-18-6-8-19(9-7-18)15-2-3-15/h1,4,11,15H,2-3,5-10,12H2
InChIKeyNGRQJEKSHGZNGH-UHFFFAOYSA-N
MW286.37 g/mol
LogP1.58
Rot. Bonds4

About 2-(4-cyclopropylpiperazin-1-yl)-1-(2,3-dihydro-1-benzofuran-5-yl)ethanone

2-(4-cyclopropylpiperazin-1-yl)-1-(2,3-dihydro-1-benzofuran-5-yl)ethanone (PubChem CID 61440412) has the molecular formula C17H22N2O2 and a molecular weight of 286.37 g/mol. Its IUPAC name is 2-(4-cyclopropylpiperazin-1-yl)-1-(2,3-dihydro-1-benzofuran-5-yl)ethanone.

Molecular Properties

Compound Name2-(4-cyclopropylpiperazin-1-yl)-1-(2,3-dihydro-1-benzofuran-5-yl)ethanone
PubChem CID61440412
Molecular FormulaC17H22N2O2
Molecular Weight286.37 g/mol
Exact Mass286.17
IUPAC Name2-(4-cyclopropylpiperazin-1-yl)-1-(2,3-dihydro-1-benzofuran-5-yl)ethanone
SMILESO=C(CN1CCN(C2CC2)CC1)c1ccc2c(c1)CCO2
InChIInChI=1S/C17H22N2O2/c20-16(13-1-4-17-14(11-13)5-10-21-17)12-18-6-8-19(9-7-18)15-2-3-15/h1,4,11,15H,2-3,5-10,12H2
InChIKeyNGRQJEKSHGZNGH-UHFFFAOYSA-N
XLogP1.58
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-aminopyrrolidin-1-yl)-1-(2,3-dihydro-1-benzofuran-5-yl)ethanone
CID 63068559
1-(2,3-dihydro-1-benzofuran-5-yl)-2-(3,4-dimethylpyrrolidin-1-yl)ethanone
CID 79188551
1-(2,3-dihydro-1-benzofuran-5-yl)-2-(4-hydroxy-4-methylazepan-1-yl)ethanone
CID 107405314
1-(2,3-dihydro-1-benzofuran-5-yl)-2-[(3S)-3-(1,1-diphenylethyl)pyrrolidin-1-yl]ethanone
CID 71058664
1-cyclopentyl-3-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-oxoethyl]imidazolidine-2,4,5-trione
CID 33489866
1-(2,3-dihydro-1-benzofuran-5-yl)-2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)ethanone
CID 102884646
2,3-dihydro-1-benzofuran-5-carboxylic acid
CID 676583
2-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-oxoethyl]isoindole-1,3-dione
CID 47016579
1-(2,3-dihydro-1-benzofuran-5-yl)-2-(2,2-dimethylpyrrolidin-1-yl)ethanone
CID 63217755
3-(2,3-dihydro-1-benzofuran-5-yl)-3-oxopropanal
CID 116821577
3-(1-benzylpiperidin-4-yl)-1-(2,3-dihydro-1-benzofuran-5-yl)propan-1-one
CID 19108487
2-[cyclopropyl(cyclopropylmethyl)amino]-1-(2,3-dihydro-1-benzofuran-5-yl)ethanone
CID 64521389

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclopropylpiperazin-1-yl)-1-(2,3-dihydro-1-benzofuran-5-yl)ethanone?
The IUPAC name of 2-(4-cyclopropylpiperazin-1-yl)-1-(2,3-dihydro-1-benzofuran-5-yl)ethanone (CID 61440412) is 2-(4-cyclopropylpiperazin-1-yl)-1-(2,3-dihydro-1-benzofuran-5-yl)ethanone.
What is the SMILES notation for 2-(4-cyclopropylpiperazin-1-yl)-1-(2,3-dihydro-1-benzofuran-5-yl)ethanone?
The canonical SMILES for 2-(4-cyclopropylpiperazin-1-yl)-1-(2,3-dihydro-1-benzofuran-5-yl)ethanone is O=C(CN1CCN(C2CC2)CC1)c1ccc2c(c1)CCO2.
What is the InChIKey of 2-(4-cyclopropylpiperazin-1-yl)-1-(2,3-dihydro-1-benzofuran-5-yl)ethanone?
The InChIKey is NGRQJEKSHGZNGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c20-16(13-1-4-17-14(11-13)5-10-21-17)12-18-6-8-19(9-7-18)15-2-3-15/h1,4,11,15H,2-3,5-10,12H2.
What are the key properties of 2-(4-cyclopropylpiperazin-1-yl)-1-(2,3-dihydro-1-benzofuran-5-yl)ethanone?
2-(4-cyclopropylpiperazin-1-yl)-1-(2,3-dihydro-1-benzofuran-5-yl)ethanone has a molecular weight of 286.37 g/mol, XLogP of 1.58, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclopropylpiperazin-1-yl)-1-(2,3-dihydro-1-benzofuran-5-yl)ethanone is sourced from PubChem (CID 61440412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).