1-benzofuran-2-yl-[4-(4-chlorophenoxy)piperidin-1-yl]methanone

C20H18ClNO3 — CID 53235473

IUPAC1-benzofuran-2-yl-[4-(4-chlorophenoxy)piperidin-1-yl]methanone
SMILESO=C(c1cc2ccccc2o1)N1CCC(Oc2ccc(Cl)cc2)CC1
InChIInChI=1S/C20H18ClNO3/c21-15-5-7-16(8-6-15)24-17-9-11-22(12-10-17)20(23)19-13-14-3-1-2-4-18(14)25-19/h1-8,13,17H,9-12H2
InChIKeyZZXSXYPRCJCRNB-UHFFFAOYSA-N
MW355.82 g/mol
LogP4.77
Rot. Bonds3

About 1-benzofuran-2-yl-[4-(4-chlorophenoxy)piperidin-1-yl]methanone

1-benzofuran-2-yl-[4-(4-chlorophenoxy)piperidin-1-yl]methanone (PubChem CID 53235473) has the molecular formula C20H18ClNO3 and a molecular weight of 355.82 g/mol. Its IUPAC name is 1-benzofuran-2-yl-[4-(4-chlorophenoxy)piperidin-1-yl]methanone.

Molecular Properties

Compound Name1-benzofuran-2-yl-[4-(4-chlorophenoxy)piperidin-1-yl]methanone
PubChem CID53235473
Molecular FormulaC20H18ClNO3
Molecular Weight355.82 g/mol
Exact Mass355.10
IUPAC Name1-benzofuran-2-yl-[4-(4-chlorophenoxy)piperidin-1-yl]methanone
SMILESO=C(c1cc2ccccc2o1)N1CCC(Oc2ccc(Cl)cc2)CC1
InChIInChI=1S/C20H18ClNO3/c21-15-5-7-16(8-6-15)24-17-9-11-22(12-10-17)20(23)19-13-14-3-1-2-4-18(14)25-19/h1-8,13,17H,9-12H2
InChIKeyZZXSXYPRCJCRNB-UHFFFAOYSA-N
XLogP4.77
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.82
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzofuran-2-yl-(4-pyridin-3-yloxypiperidin-1-yl)methanone
CID 90566033
1-benzofuran-2-yl-[4-(chloromethyl)piperidin-1-yl]methanone
CID 55188193
[4-(4-chlorophenoxy)piperidin-1-yl]-(3-phenyl-1,2-oxazol-5-yl)methanone
CID 166338859
5-[4-(4-chlorophenoxy)piperidine-1-carbonyl]furan-2-carbonitrile
CID 166281549
1-benzofuran-2-yl-(4-quinolin-8-yloxypiperidin-1-yl)methanone
CID 91625324
[1-(1-benzofuran-2-carbonyl)piperidin-4-yl]-(4-methoxyphenyl)methanone
CID 25473746
1-benzofuran-2-yl-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 63248546
(3-aminopyrrolidin-1-yl)-(1-benzofuran-2-yl)methanone;hydrochloride
CID 119482537
(4-chlorophenyl)-[4-(4-methoxyphenoxy)piperidin-1-yl]methanone
CID 110396841
1-benzofuran-2-yl-(4-methylpiperazin-4-ium-1-yl)methanone
CID 7640327
[4-(4-chlorophenoxy)piperidin-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone
CID 67169320
1-benzofuran-2-yl-(4-chloro-3-methylpiperidin-1-yl)methanone
CID 114683163

Frequently Asked Questions

What is the IUPAC name of 1-benzofuran-2-yl-[4-(4-chlorophenoxy)piperidin-1-yl]methanone?
The IUPAC name of 1-benzofuran-2-yl-[4-(4-chlorophenoxy)piperidin-1-yl]methanone (CID 53235473) is 1-benzofuran-2-yl-[4-(4-chlorophenoxy)piperidin-1-yl]methanone.
What is the SMILES notation for 1-benzofuran-2-yl-[4-(4-chlorophenoxy)piperidin-1-yl]methanone?
The canonical SMILES for 1-benzofuran-2-yl-[4-(4-chlorophenoxy)piperidin-1-yl]methanone is O=C(c1cc2ccccc2o1)N1CCC(Oc2ccc(Cl)cc2)CC1.
What is the InChIKey of 1-benzofuran-2-yl-[4-(4-chlorophenoxy)piperidin-1-yl]methanone?
The InChIKey is ZZXSXYPRCJCRNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClNO3/c21-15-5-7-16(8-6-15)24-17-9-11-22(12-10-17)20(23)19-13-14-3-1-2-4-18(14)25-19/h1-8,13,17H,9-12H2.
What are the key properties of 1-benzofuran-2-yl-[4-(4-chlorophenoxy)piperidin-1-yl]methanone?
1-benzofuran-2-yl-[4-(4-chlorophenoxy)piperidin-1-yl]methanone has a molecular weight of 355.82 g/mol, XLogP of 4.77, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzofuran-2-yl-[4-(4-chlorophenoxy)piperidin-1-yl]methanone is sourced from PubChem (CID 53235473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).