(3-chlorophenyl)-[4-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)piperidin-1-yl]methanone

C22H22ClNO3 — CID 113096138

IUPAC(3-chlorophenyl)-[4-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)piperidin-1-yl]methanone
SMILESO=C(c1cccc(Cl)c1)N1CCC(c2c3c(cc4c2OCC4)OCC3)CC1
InChIInChI=1S/C22H22ClNO3/c23-17-3-1-2-16(12-17)22(25)24-8-4-14(5-9-24)20-18-7-11-26-19(18)13-15-6-10-27-21(15)20/h1-3,12-14H,4-11H2
InChIKeyOZHDBDNXHJLLAH-UHFFFAOYSA-N
MW383.88 g/mol
LogP4.23
Rot. Bonds2

About (3-chlorophenyl)-[4-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)piperidin-1-yl]methanone

(3-chlorophenyl)-[4-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)piperidin-1-yl]methanone (PubChem CID 113096138) has the molecular formula C22H22ClNO3 and a molecular weight of 383.88 g/mol. Its IUPAC name is (3-chlorophenyl)-[4-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3-chlorophenyl)-[4-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)piperidin-1-yl]methanone
PubChem CID113096138
Molecular FormulaC22H22ClNO3
Molecular Weight383.88 g/mol
Exact Mass383.13
IUPAC Name(3-chlorophenyl)-[4-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)piperidin-1-yl]methanone
SMILESO=C(c1cccc(Cl)c1)N1CCC(c2c3c(cc4c2OCC4)OCC3)CC1
InChIInChI=1S/C22H22ClNO3/c23-17-3-1-2-16(12-17)22(25)24-8-4-14(5-9-24)20-18-7-11-26-19(18)13-15-6-10-27-21(15)20/h1-3,12-14H,4-11H2
InChIKeyOZHDBDNXHJLLAH-UHFFFAOYSA-N
XLogP4.23
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.88
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3-fluorophenyl)-[4-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)piperidin-1-yl]methanone
CID 113096123
(3,4-difluorophenyl)-[4-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)piperidin-1-yl]methanone
CID 113096143
[4-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)piperidin-1-yl]-thiophen-2-ylmethanone
CID 113096117
2-methyl-1-[4-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)piperidin-1-yl]propan-1-one
CID 113096108
2-(4-methylphenyl)-1-[4-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)piperidin-1-yl]ethanone
CID 113096148
(3-chlorophenyl)-(3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]isoquinolin-7-yl)methanone
CID 110647111
4-(3-chlorophenyl)-N-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)piperazine-1-carboxamide
CID 113199630
[1-(3-chlorobenzoyl)piperidin-4-yl]-morpholin-4-ylmethanone
CID 38490514
(3-chlorophenyl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
CID 7026509
1-(3-chlorobenzoyl)piperidine-4-carbonitrile
CID 39351559
[4-(azepan-1-ium-1-yl)piperidin-1-yl]-(3-chlorophenyl)methanone
CID 5185117
(3-chlorophenyl)-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]methanone
CID 3824852

Frequently Asked Questions

What is the IUPAC name of (3-chlorophenyl)-[4-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)piperidin-1-yl]methanone?
The IUPAC name of (3-chlorophenyl)-[4-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)piperidin-1-yl]methanone (CID 113096138) is (3-chlorophenyl)-[4-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (3-chlorophenyl)-[4-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)piperidin-1-yl]methanone?
The canonical SMILES for (3-chlorophenyl)-[4-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)piperidin-1-yl]methanone is O=C(c1cccc(Cl)c1)N1CCC(c2c3c(cc4c2OCC4)OCC3)CC1.
What is the InChIKey of (3-chlorophenyl)-[4-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)piperidin-1-yl]methanone?
The InChIKey is OZHDBDNXHJLLAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClNO3/c23-17-3-1-2-16(12-17)22(25)24-8-4-14(5-9-24)20-18-7-11-26-19(18)13-15-6-10-27-21(15)20/h1-3,12-14H,4-11H2.
What are the key properties of (3-chlorophenyl)-[4-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)piperidin-1-yl]methanone?
(3-chlorophenyl)-[4-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)piperidin-1-yl]methanone has a molecular weight of 383.88 g/mol, XLogP of 4.23, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chlorophenyl)-[4-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 113096138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).