[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]-(4-ethoxyphenyl)methanone

C22H26N2O3 — CID 31607643

IUPAC[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]-(4-ethoxyphenyl)methanone
SMILESCCOc1ccc(C(=O)N2CCN(Cc3ccc4c(c3)CCO4)CC2)cc1
InChIInChI=1S/C22H26N2O3/c1-2-26-20-6-4-18(5-7-20)22(25)24-12-10-23(11-13-24)16-17-3-8-21-19(15-17)9-14-27-21/h3-8,15H,2,9-14,16H2,1H3
InChIKeyLNKNKBFRKDJQJT-UHFFFAOYSA-N
MW366.46 g/mol
LogP2.98
Rot. Bonds5

About [4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]-(4-ethoxyphenyl)methanone

[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]-(4-ethoxyphenyl)methanone (PubChem CID 31607643) has the molecular formula C22H26N2O3 and a molecular weight of 366.46 g/mol. Its IUPAC name is [4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]-(4-ethoxyphenyl)methanone.

Molecular Properties

Compound Name[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]-(4-ethoxyphenyl)methanone
PubChem CID31607643
Molecular FormulaC22H26N2O3
Molecular Weight366.46 g/mol
Exact Mass366.19
IUPAC Name[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]-(4-ethoxyphenyl)methanone
SMILESCCOc1ccc(C(=O)N2CCN(Cc3ccc4c(c3)CCO4)CC2)cc1
InChIInChI=1S/C22H26N2O3/c1-2-26-20-6-4-18(5-7-20)22(25)24-12-10-23(11-13-24)16-17-3-8-21-19(15-17)9-14-27-21/h3-8,15H,2,9-14,16H2,1H3
InChIKeyLNKNKBFRKDJQJT-UHFFFAOYSA-N
XLogP2.98
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-(((2S)-2-(3,5-Dimethylphenyl)-1-pyrrolidinyl)methyl)phenoxy)-3-fluorobenzamide
CID 44129648
2-(2'-(Dimethylamino)ethyl)-1,2-dihydro-7-ethoxydibenz(de,h)isoquinoline-1,3-dione
CID 10522660
1-((3-Benzyl-3-methyl-2,3-dihydro-1-benzofuran-6-yl)carbonyl)piperidine
CID 24766011
1-Benzyl-4-(4-ethoxybenzoyl)piperazine
CID 673609
(6-(3-(Piperidin-1-yl)propoxy)naphthalen-2-yl)(pyrrolidin-1-yl)methanone
CID 11501506
2-{[3-(Piperazin-1-ylcarbonyl)phenyl]methoxy}benzamide
CID 25218485
2-{[4-Fluoro-3-(piperazin-1-ylcarbonyl)phenyl]methoxy}benzamide
CID 25218486
2-{2-[3-(Piperazin-1-ylcarbonyl)phenyl]ethoxy}benzamide
CID 25218489
5-Fluoro-2-{[4-fluoro-3-(piperazin-1-ylcarbonyl)phenyl]methoxy}benzamide
CID 25218495
(2-fluoranyl-4-methoxy-phenyl)-[(3~{R},5~{R})-4-(2-fluoranyl-4-methoxy-phenyl)carbonyl-3,5-dimethyl-piperazin-1-yl]methanone
CID 99794612
N-((Benzofuran-2-yl)methyl)-N''-(4''-methoxybenzyl)piperazine
CID 46914487
A-349821 free base
CID 9954017

Frequently Asked Questions

What is the IUPAC name of [4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]-(4-ethoxyphenyl)methanone?
The IUPAC name of [4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]-(4-ethoxyphenyl)methanone (CID 31607643) is [4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]-(4-ethoxyphenyl)methanone.
What is the SMILES notation for [4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]-(4-ethoxyphenyl)methanone?
The canonical SMILES for [4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]-(4-ethoxyphenyl)methanone is CCOc1ccc(C(=O)N2CCN(Cc3ccc4c(c3)CCO4)CC2)cc1.
What is the InChIKey of [4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]-(4-ethoxyphenyl)methanone?
The InChIKey is LNKNKBFRKDJQJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O3/c1-2-26-20-6-4-18(5-7-20)22(25)24-12-10-23(11-13-24)16-17-3-8-21-19(15-17)9-14-27-21/h3-8,15H,2,9-14,16H2,1H3.
What are the key properties of [4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]-(4-ethoxyphenyl)methanone?
[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]-(4-ethoxyphenyl)methanone has a molecular weight of 366.46 g/mol, XLogP of 2.98, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]-(4-ethoxyphenyl)methanone is sourced from PubChem (CID 31607643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).