(4-cyclopentylpiperazin-1-yl)-(7-ethoxy-1-benzofuran-2-yl)methanone;hydrochloride

C20H27ClN2O3 — CID 18456501

IUPAC(4-cyclopentylpiperazin-1-yl)-(7-ethoxy-1-benzofuran-2-yl)methanone;hydrochloride
SMILESCCOc1cccc2cc(C(=O)N3CCN(C4CCCC4)CC3)oc12.Cl
InChIInChI=1S/C20H26N2O3.ClH/c1-2-24-17-9-5-6-15-14-18(25-19(15)17)20(23)22-12-10-21(11-13-22)16-7-3-4-8-16;/h5-6,9,14,16H,2-4,7-8,10-13H2,1H3;1H
InChIKeyFSVNREBCOYBAQN-UHFFFAOYSA-N
MW378.90 g/mol
LogP3.95
Rot. Bonds4

About (4-cyclopentylpiperazin-1-yl)-(7-ethoxy-1-benzofuran-2-yl)methanone;hydrochloride

(4-cyclopentylpiperazin-1-yl)-(7-ethoxy-1-benzofuran-2-yl)methanone;hydrochloride (PubChem CID 18456501) has the molecular formula C20H27ClN2O3 and a molecular weight of 378.90 g/mol. Its IUPAC name is (4-cyclopentylpiperazin-1-yl)-(7-ethoxy-1-benzofuran-2-yl)methanone;hydrochloride.

Molecular Properties

Compound Name(4-cyclopentylpiperazin-1-yl)-(7-ethoxy-1-benzofuran-2-yl)methanone;hydrochloride
PubChem CID18456501
Molecular FormulaC20H27ClN2O3
Molecular Weight378.90 g/mol
Exact Mass378.17
IUPAC Name(4-cyclopentylpiperazin-1-yl)-(7-ethoxy-1-benzofuran-2-yl)methanone;hydrochloride
SMILESCCOc1cccc2cc(C(=O)N3CCN(C4CCCC4)CC3)oc12.Cl
InChIInChI=1S/C20H26N2O3.ClH/c1-2-24-17-9-5-6-15-14-18(25-19(15)17)20(23)22-12-10-21(11-13-22)16-7-3-4-8-16;/h5-6,9,14,16H,2-4,7-8,10-13H2,1H3;1H
InChIKeyFSVNREBCOYBAQN-UHFFFAOYSA-N
XLogP3.95
TPSA45.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.90
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (4-cyclopentylpiperazin-1-yl)-(7-ethoxy-1-benzofuran-2-yl)methanone;hydrochloride 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-(4-cyclohexylpiperazin-1-yl)azetidin-1-yl]-(7-methoxy-1-benzofuran-2-yl)methanone
CID 126892491
(7-methoxy-1-benzofuran-2-yl)-[(3S)-3-pyrrolidin-1-ylpiperidin-1-yl]methanone
CID 95616208
(7-methoxy-1-benzofuran-2-yl)-(3-pyrrolidin-1-ylazetidin-1-yl)methanone
CID 134160907
(7-methoxy-1-benzofuran-2-yl)-[4-(methoxymethyl)piperidin-1-yl]methanone
CID 121091409
8-methoxy-3-[4-(thian-4-yl)-1,4-diazepane-1-carbonyl]chromen-2-one
CID 146078620
(3S)-1-(7-methoxy-1-benzofuran-2-carbonyl)piperidine-3-carboxylic acid
CID 99639026
(4-hydroxy-4-propylpiperidin-1-yl)-(7-methoxy-1-benzofuran-2-yl)methanone
CID 126808733
(7-methoxy-1-benzofuran-2-yl)-[4-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperazin-1-yl]methanone
CID 122343430
[3-(aminomethylidene)-4-methyliminospiro[chromene-2,4'-piperidine]-1'-yl]-(7-ethoxy-1-benzofuran-2-yl)methanone
CID 154437051
(7-methoxy-1-benzofuran-2-yl)-[4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidin-1-yl]methanone
CID 52992563
(2,3-dichlorophenyl)-[4-(7-methoxy-1-benzofuran-2-carbonyl)piperazin-1-yl]methanone
CID 78892364
3-[4-(6-cyclopropylpyridazin-3-yl)piperazine-1-carbonyl]-8-ethoxychromen-2-one
CID 122279257

Frequently Asked Questions

What is the IUPAC name of (4-cyclopentylpiperazin-1-yl)-(7-ethoxy-1-benzofuran-2-yl)methanone;hydrochloride?
The IUPAC name of (4-cyclopentylpiperazin-1-yl)-(7-ethoxy-1-benzofuran-2-yl)methanone;hydrochloride (CID 18456501) is (4-cyclopentylpiperazin-1-yl)-(7-ethoxy-1-benzofuran-2-yl)methanone;hydrochloride.
What is the SMILES notation for (4-cyclopentylpiperazin-1-yl)-(7-ethoxy-1-benzofuran-2-yl)methanone;hydrochloride?
The canonical SMILES for (4-cyclopentylpiperazin-1-yl)-(7-ethoxy-1-benzofuran-2-yl)methanone;hydrochloride is CCOc1cccc2cc(C(=O)N3CCN(C4CCCC4)CC3)oc12.Cl.
What is the InChIKey of (4-cyclopentylpiperazin-1-yl)-(7-ethoxy-1-benzofuran-2-yl)methanone;hydrochloride?
The InChIKey is FSVNREBCOYBAQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3.ClH/c1-2-24-17-9-5-6-15-14-18(25-19(15)17)20(23)22-12-10-21(11-13-22)16-7-3-4-8-16;/h5-6,9,14,16H,2-4,7-8,10-13H2,1H3;1H.
What are the key properties of (4-cyclopentylpiperazin-1-yl)-(7-ethoxy-1-benzofuran-2-yl)methanone;hydrochloride?
(4-cyclopentylpiperazin-1-yl)-(7-ethoxy-1-benzofuran-2-yl)methanone;hydrochloride has a molecular weight of 378.90 g/mol, XLogP of 3.95, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyclopentylpiperazin-1-yl)-(7-ethoxy-1-benzofuran-2-yl)methanone;hydrochloride is sourced from PubChem (CID 18456501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).