4-(3-chlorophenyl)-N-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)piperazine-1-carboxamide

C21H22ClN3O3 — CID 113199630

IUPAC4-(3-chlorophenyl)-N-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)piperazine-1-carboxamide
SMILESO=C(Nc1c2c(cc3c1OCC3)OCC2)N1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C21H22ClN3O3/c22-15-2-1-3-16(13-15)24-6-8-25(9-7-24)21(26)23-19-17-5-11-27-18(17)12-14-4-10-28-20(14)19/h1-3,12-13H,4-11H2,(H,23,26)
InChIKeyJGSSQBQKQFHCGI-UHFFFAOYSA-N
MW399.88 g/mol
LogP3.56
Rot. Bonds2

About 4-(3-chlorophenyl)-N-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)piperazine-1-carboxamide

4-(3-chlorophenyl)-N-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)piperazine-1-carboxamide (PubChem CID 113199630) has the molecular formula C21H22ClN3O3 and a molecular weight of 399.88 g/mol. Its IUPAC name is 4-(3-chlorophenyl)-N-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(3-chlorophenyl)-N-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)piperazine-1-carboxamide
PubChem CID113199630
Molecular FormulaC21H22ClN3O3
Molecular Weight399.88 g/mol
Exact Mass399.13
IUPAC Name4-(3-chlorophenyl)-N-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)piperazine-1-carboxamide
SMILESO=C(Nc1c2c(cc3c1OCC3)OCC2)N1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C21H22ClN3O3/c22-15-2-1-3-16(13-15)24-6-8-25(9-7-24)21(26)23-19-17-5-11-27-18(17)12-14-4-10-28-20(14)19/h1-3,12-13H,4-11H2,(H,23,26)
InChIKeyJGSSQBQKQFHCGI-UHFFFAOYSA-N
XLogP3.56
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.88
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(furan-2-carbonyl)-N-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)piperazine-1-carboxamide
CID 113199632
N-(3-chlorophenyl)-4-(3-hydroxyphenyl)piperazine-1-carboxamide
CID 78819248
4-(3-chlorophenyl)-N-[4-(morpholine-4-carbonyl)thiadiazol-5-yl]piperazine-1-carboxamide
CID 20932522
N-(2-chlorophenyl)-4-(3-chlorophenyl)piperazine-1-carboxamide
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4-(3-chlorophenyl)-N-(2-methylsulfanylphenyl)piperazine-1-carboxamide
CID 86987085
5-[[4-(3-chlorophenyl)piperazine-1-carbonyl]amino]thiadiazole-4-carboxylic acid
CID 6917313
N-(3-chloro-4-fluorophenyl)-4-(3-chlorophenyl)piperazine-1-carboxamide
CID 108990187
N-(3-chlorophenyl)-4-(4-hydroxyphenyl)piperazine-1-carboxamide
CID 5215586
4-(3-chlorophenyl)-N-(2-ethylphenyl)piperazine-1-carboxamide
CID 6467004
4-(3-chlorophenyl)-N-(1H-indol-3-yl)piperazine-1-carboxamide
CID 7595794
[3-[4-(3-chlorophenyl)piperazine-1-carbonyl]phenyl]-[4-(3-chlorophenyl)piperazin-1-yl]methanone
CID 1069884
4-(3-chlorophenyl)-N-propylpiperazine-1-carboxamide
CID 17444568

Frequently Asked Questions

What is the IUPAC name of 4-(3-chlorophenyl)-N-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)piperazine-1-carboxamide?
The IUPAC name of 4-(3-chlorophenyl)-N-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)piperazine-1-carboxamide (CID 113199630) is 4-(3-chlorophenyl)-N-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(3-chlorophenyl)-N-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)piperazine-1-carboxamide?
The canonical SMILES for 4-(3-chlorophenyl)-N-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)piperazine-1-carboxamide is O=C(Nc1c2c(cc3c1OCC3)OCC2)N1CCN(c2cccc(Cl)c2)CC1.
What is the InChIKey of 4-(3-chlorophenyl)-N-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)piperazine-1-carboxamide?
The InChIKey is JGSSQBQKQFHCGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClN3O3/c22-15-2-1-3-16(13-15)24-6-8-25(9-7-24)21(26)23-19-17-5-11-27-18(17)12-14-4-10-28-20(14)19/h1-3,12-13H,4-11H2,(H,23,26).
What are the key properties of 4-(3-chlorophenyl)-N-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)piperazine-1-carboxamide?
4-(3-chlorophenyl)-N-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)piperazine-1-carboxamide has a molecular weight of 399.88 g/mol, XLogP of 3.56, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chlorophenyl)-N-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)piperazine-1-carboxamide is sourced from PubChem (CID 113199630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).