(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-piperidin-3-ylmethanone

C14H16ClNO2 — CID 104545052

IUPAC(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-piperidin-3-ylmethanone
SMILESO=C(c1cc(Cl)cc2c1OCC2)C1CCCNC1
InChIInChI=1S/C14H16ClNO2/c15-11-6-9-3-5-18-14(9)12(7-11)13(17)10-2-1-4-16-8-10/h6-7,10,16H,1-5,8H2
InChIKeyRXXPDHGAHWPSQR-UHFFFAOYSA-N
MW265.74 g/mol
LogP2.46
Rot. Bonds2

About (5-chloro-2,3-dihydro-1-benzofuran-7-yl)-piperidin-3-ylmethanone

(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-piperidin-3-ylmethanone (PubChem CID 104545052) has the molecular formula C14H16ClNO2 and a molecular weight of 265.74 g/mol. Its IUPAC name is (5-chloro-2,3-dihydro-1-benzofuran-7-yl)-piperidin-3-ylmethanone.

Molecular Properties

Compound Name(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-piperidin-3-ylmethanone
PubChem CID104545052
Molecular FormulaC14H16ClNO2
Molecular Weight265.74 g/mol
Exact Mass265.09
IUPAC Name(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-piperidin-3-ylmethanone
SMILESO=C(c1cc(Cl)cc2c1OCC2)C1CCCNC1
InChIInChI=1S/C14H16ClNO2/c15-11-6-9-3-5-18-14(9)12(7-11)13(17)10-2-1-4-16-8-10/h6-7,10,16H,1-5,8H2
InChIKeyRXXPDHGAHWPSQR-UHFFFAOYSA-N
XLogP2.46
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.74
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-cycloheptylmethanone
CID 113425372
(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-(oxan-2-yl)methanone
CID 104544537
(5-chloro-2-methoxyphenyl)-[(3S)-piperidin-3-yl]methanone
CID 93188912
(4-chloro-2-methylphenyl)-piperidin-3-ylmethanone;hydrochloride
CID 154891669
(5-chloro-2-methoxy-3-propan-2-ylphenyl)-piperidin-3-ylmethanone
CID 82552814
(2,5-dichlorophenyl)-pyrrolidin-3-ylmethanone
CID 116568315
1-(6-chloro-3,4-dihydro-2H-chromen-8-yl)ethanone
CID 10560433
(5-chloro-2-fluorophenyl)-pyrrolidin-3-ylmethanone
CID 116916892
4-chloro-1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)butan-1-one
CID 105400931
(2S)-2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)pyrrolidine
CID 66519243
1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-3-pyrrolidin-2-ylpropan-2-one
CID 116560871
(2-amino-3-chlorophenyl)-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methanone
CID 104544267

Frequently Asked Questions

What is the IUPAC name of (5-chloro-2,3-dihydro-1-benzofuran-7-yl)-piperidin-3-ylmethanone?
The IUPAC name of (5-chloro-2,3-dihydro-1-benzofuran-7-yl)-piperidin-3-ylmethanone (CID 104545052) is (5-chloro-2,3-dihydro-1-benzofuran-7-yl)-piperidin-3-ylmethanone.
What is the SMILES notation for (5-chloro-2,3-dihydro-1-benzofuran-7-yl)-piperidin-3-ylmethanone?
The canonical SMILES for (5-chloro-2,3-dihydro-1-benzofuran-7-yl)-piperidin-3-ylmethanone is O=C(c1cc(Cl)cc2c1OCC2)C1CCCNC1.
What is the InChIKey of (5-chloro-2,3-dihydro-1-benzofuran-7-yl)-piperidin-3-ylmethanone?
The InChIKey is RXXPDHGAHWPSQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClNO2/c15-11-6-9-3-5-18-14(9)12(7-11)13(17)10-2-1-4-16-8-10/h6-7,10,16H,1-5,8H2.
What are the key properties of (5-chloro-2,3-dihydro-1-benzofuran-7-yl)-piperidin-3-ylmethanone?
(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-piperidin-3-ylmethanone has a molecular weight of 265.74 g/mol, XLogP of 2.46, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-2,3-dihydro-1-benzofuran-7-yl)-piperidin-3-ylmethanone is sourced from PubChem (CID 104545052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).