cyclopropyl-[4-[(5-thiophen-3-yl-1-benzofuran-2-yl)methyl]piperazin-1-yl]methanone

C21H22N2O2S — CID 24736208

IUPACcyclopropyl-[4-[(5-thiophen-3-yl-1-benzofuran-2-yl)methyl]piperazin-1-yl]methanone
SMILESO=C(C1CC1)N1CCN(Cc2cc3cc(-c4ccsc4)ccc3o2)CC1
InChIInChI=1S/C21H22N2O2S/c24-21(15-1-2-15)23-8-6-22(7-9-23)13-19-12-18-11-16(3-4-20(18)25-19)17-5-10-26-14-17/h3-5,10-12,14-15H,1-2,6-9,13H2
InChIKeyNLOIEKFHASBBQB-UHFFFAOYSA-N
MW366.49 g/mol
LogP4.22
Rot. Bonds4

About cyclopropyl-[4-[(5-thiophen-3-yl-1-benzofuran-2-yl)methyl]piperazin-1-yl]methanone

cyclopropyl-[4-[(5-thiophen-3-yl-1-benzofuran-2-yl)methyl]piperazin-1-yl]methanone (PubChem CID 24736208) has the molecular formula C21H22N2O2S and a molecular weight of 366.49 g/mol. Its IUPAC name is cyclopropyl-[4-[(5-thiophen-3-yl-1-benzofuran-2-yl)methyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[4-[(5-thiophen-3-yl-1-benzofuran-2-yl)methyl]piperazin-1-yl]methanone
PubChem CID24736208
Molecular FormulaC21H22N2O2S
Molecular Weight366.49 g/mol
Exact Mass366.14
IUPAC Namecyclopropyl-[4-[(5-thiophen-3-yl-1-benzofuran-2-yl)methyl]piperazin-1-yl]methanone
SMILESO=C(C1CC1)N1CCN(Cc2cc3cc(-c4ccsc4)ccc3o2)CC1
InChIInChI=1S/C21H22N2O2S/c24-21(15-1-2-15)23-8-6-22(7-9-23)13-19-12-18-11-16(3-4-20(18)25-19)17-5-10-26-14-17/h3-5,10-12,14-15H,1-2,6-9,13H2
InChIKeyNLOIEKFHASBBQB-UHFFFAOYSA-N
XLogP4.22
TPSA36.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.49
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze cyclopropyl-[4-[(5-thiophen-3-yl-1-benzofuran-2-yl)methyl]piperazin-1-yl]methanone 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

1-[4-[(5-thiophen-3-yl-1-benzofuran-2-yl)methyl]piperazin-1-yl]ethanone
CID 24736200
furan-2-yl-[4-[(5-thiophen-3-yl-1-benzofuran-2-yl)methyl]piperazin-1-yl]methanone
CID 24736206
cyclopropyl-[4-[[5-(2-methoxyphenyl)-1-benzofuran-2-yl]methyl]piperazin-1-yl]methanone
CID 24736139
cyclopropyl-[4-[[5-(2-methoxyphenyl)-1-benzofuran-2-yl]methyl]-1,4-diazepan-1-yl]methanone
CID 24737245
3-[4-[(5-thiophen-3-yl-1-benzofuran-2-yl)methyl]-1,4-diazepane-1-carbonyl]benzonitrile;hydrochloride
CID 24737302
1-[4-[[5-(4-methylphenyl)-1-benzofuran-2-yl]methyl]piperazin-1-yl]ethanone
CID 24736094
1-[(5-thiophen-3-yl-1-benzofuran-2-yl)methyl]-4-thiophen-2-ylsulfonyl-1,4-diazepane;hydrochloride
CID 24737319
1-[2-(4-fluorophenoxy)ethyl]-4-[(5-thiophen-3-yl-1-benzofuran-2-yl)methyl]-1,4-diazepane
CID 24737337
4-methoxy-2-[4-[(5-thiophen-3-yl-1-benzofuran-2-yl)methyl]piperazin-1-yl]pyrimidine;hydrochloride
CID 24736231
(3-aminocyclopentyl)-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone
CID 66008131
N-(3-fluorophenyl)-4-[[5-(3-fluorophenyl)-1-benzofuran-2-yl]methyl]-1,4-diazepane-1-carboxamide
CID 24737289
cyclopropyl-[(3R)-3-(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone
CID 129416928

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[4-[(5-thiophen-3-yl-1-benzofuran-2-yl)methyl]piperazin-1-yl]methanone?
The IUPAC name of cyclopropyl-[4-[(5-thiophen-3-yl-1-benzofuran-2-yl)methyl]piperazin-1-yl]methanone (CID 24736208) is cyclopropyl-[4-[(5-thiophen-3-yl-1-benzofuran-2-yl)methyl]piperazin-1-yl]methanone.
What is the SMILES notation for cyclopropyl-[4-[(5-thiophen-3-yl-1-benzofuran-2-yl)methyl]piperazin-1-yl]methanone?
The canonical SMILES for cyclopropyl-[4-[(5-thiophen-3-yl-1-benzofuran-2-yl)methyl]piperazin-1-yl]methanone is O=C(C1CC1)N1CCN(Cc2cc3cc(-c4ccsc4)ccc3o2)CC1.
What is the InChIKey of cyclopropyl-[4-[(5-thiophen-3-yl-1-benzofuran-2-yl)methyl]piperazin-1-yl]methanone?
The InChIKey is NLOIEKFHASBBQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O2S/c24-21(15-1-2-15)23-8-6-22(7-9-23)13-19-12-18-11-16(3-4-20(18)25-19)17-5-10-26-14-17/h3-5,10-12,14-15H,1-2,6-9,13H2.
What are the key properties of cyclopropyl-[4-[(5-thiophen-3-yl-1-benzofuran-2-yl)methyl]piperazin-1-yl]methanone?
cyclopropyl-[4-[(5-thiophen-3-yl-1-benzofuran-2-yl)methyl]piperazin-1-yl]methanone has a molecular weight of 366.49 g/mol, XLogP of 4.22, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[4-[(5-thiophen-3-yl-1-benzofuran-2-yl)methyl]piperazin-1-yl]methanone is sourced from PubChem (CID 24736208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).