1,3-Dihydro-2-benzofuran-5-yl-[4-(2-hydroxybutyl)piperazin-1-yl]methanone

C17H24N2O3 — CID 53620344

IUPAC1,3-dihydro-2-benzofuran-5-yl-[4-(2-hydroxybutyl)piperazin-1-yl]methanone
SMILESCCC(CN1CCN(CC1)C(=O)C2=CC3=C(COC3)C=C2)O
InChIInChI=1S/C17H24N2O3/c1-2-16(20)10-18-5-7-19(8-6-18)17(21)13-3-4-14-11-22-12-15(14)9-13/h3-4,9,16,20H,2,5-8,10-12H2,1H3
InChIKeyJRBNMWWTEVQCOV-UHFFFAOYSA-N
MW304.40 g/mol
LogP0.70
Rot. Bonds4

About 1,3-Dihydro-2-benzofuran-5-yl-[4-(2-hydroxybutyl)piperazin-1-yl]methanone

1,3-Dihydro-2-benzofuran-5-yl-[4-(2-hydroxybutyl)piperazin-1-yl]methanone (PubChem CID 53620344) has the molecular formula C17H24N2O3 and a molecular weight of 304.40 g/mol. Its IUPAC name is 1,3-dihydro-2-benzofuran-5-yl-[4-(2-hydroxybutyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name1,3-Dihydro-2-benzofuran-5-yl-[4-(2-hydroxybutyl)piperazin-1-yl]methanone
PubChem CID53620344
Molecular FormulaC17H24N2O3
Molecular Weight304.40 g/mol
Exact Mass304.18
IUPAC Name1,3-dihydro-2-benzofuran-5-yl-[4-(2-hydroxybutyl)piperazin-1-yl]methanone
SMILESCCC(CN1CCN(CC1)C(=O)C2=CC3=C(COC3)C=C2)O
InChIInChI=1S/C17H24N2O3/c1-2-16(20)10-18-5-7-19(8-6-18)17(21)13-3-4-14-11-22-12-15(14)9-13/h3-4,9,16,20H,2,5-8,10-12H2,1H3
InChIKeyJRBNMWWTEVQCOV-UHFFFAOYSA-N
XLogP0.70
TPSA53.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity382

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.40
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[4-(Propan-2-yloxymethyl)benzoyl]piperazin-1-yl]-1-pyrrolidin-1-ylethanone
CID 9118332
[4-(Cyclopropylmethyl)piperazin-1-yl]-(1,3-dihydro-2-benzofuran-5-yl)methanone
CID 49195660
1-[4-(1,3-Dihydro-2-benzofuran-5-carbonyl)piperazin-1-yl]-3,3-dimethylbutan-2-ol
CID 53618487
1,3-Dihydro-2-benzofuran-5-yl-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]methanone
CID 53618582
1,3-Dihydro-2-benzofuran-5-yl-[4-(2-hydroxypropyl)piperazin-1-yl]methanone
CID 53623316
[4-(2-Hydroxypropyl)piperazin-1-yl]-[4-(methoxymethyl)phenyl]methanone
CID 56802441
1,3-Dihydro-2-benzofuran-5-yl-[4-(3-ethoxy-2-hydroxypropyl)piperazin-1-yl]methanone
CID 56803155
1,3-Dihydro-2-benzofuran-5-yl-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
CID 63587404
Methyl 1-oxo-2-(tetrahydrofuran-2-ylmethyl)-1,2-dihydroisoquinoline-7-carboxylate
CID 72874093
[4-(1,3-Dihydro-2-benzofuran-5-carbonyl)piperazin-1-yl]-(4-hydroxyphenyl)methanone
CID 75368891
2-[3-(morpholin-4-yl)propyl]-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylic acid
CID 2148149
2,4,6-trimethyl-N-(2-(2-phenylmorpholino)ethyl)benzamide
CID 16892467

Frequently Asked Questions

What is the IUPAC name of 1,3-Dihydro-2-benzofuran-5-yl-[4-(2-hydroxybutyl)piperazin-1-yl]methanone?
The IUPAC name of 1,3-Dihydro-2-benzofuran-5-yl-[4-(2-hydroxybutyl)piperazin-1-yl]methanone (CID 53620344) is 1,3-dihydro-2-benzofuran-5-yl-[4-(2-hydroxybutyl)piperazin-1-yl]methanone.
What is the SMILES notation for 1,3-Dihydro-2-benzofuran-5-yl-[4-(2-hydroxybutyl)piperazin-1-yl]methanone?
The canonical SMILES for 1,3-Dihydro-2-benzofuran-5-yl-[4-(2-hydroxybutyl)piperazin-1-yl]methanone is CCC(CN1CCN(CC1)C(=O)C2=CC3=C(COC3)C=C2)O.
What is the InChIKey of 1,3-Dihydro-2-benzofuran-5-yl-[4-(2-hydroxybutyl)piperazin-1-yl]methanone?
The InChIKey is JRBNMWWTEVQCOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3/c1-2-16(20)10-18-5-7-19(8-6-18)17(21)13-3-4-14-11-22-12-15(14)9-13/h3-4,9,16,20H,2,5-8,10-12H2,1H3.
What are the key properties of 1,3-Dihydro-2-benzofuran-5-yl-[4-(2-hydroxybutyl)piperazin-1-yl]methanone?
1,3-Dihydro-2-benzofuran-5-yl-[4-(2-hydroxybutyl)piperazin-1-yl]methanone has a molecular weight of 304.40 g/mol, XLogP of 0.70, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-Dihydro-2-benzofuran-5-yl-[4-(2-hydroxybutyl)piperazin-1-yl]methanone is sourced from PubChem (CID 53620344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).