(4-chlorophenyl)-[1-(2,2-dimethyl-3H-1-benzofuran-7-carbonyl)piperidin-4-yl]methanone

C23H24ClNO3 — CID 2738416

IUPAC(4-chlorophenyl)-[1-(2,2-dimethyl-3H-1-benzofuran-7-carbonyl)piperidin-4-yl]methanone
SMILESCC1(C)Cc2cccc(C(=O)N3CCC(C(=O)c4ccc(Cl)cc4)CC3)c2O1
InChIInChI=1S/C23H24ClNO3/c1-23(2)14-17-4-3-5-19(21(17)28-23)22(27)25-12-10-16(11-13-25)20(26)15-6-8-18(24)9-7-15/h3-9,16H,10-14H2,1-2H3
InChIKeySTQNUQHBJLBUGU-UHFFFAOYSA-N
MW397.90 g/mol
LogP4.79
Rot. Bonds3

About (4-chlorophenyl)-[1-(2,2-dimethyl-3H-1-benzofuran-7-carbonyl)piperidin-4-yl]methanone

(4-chlorophenyl)-[1-(2,2-dimethyl-3H-1-benzofuran-7-carbonyl)piperidin-4-yl]methanone (PubChem CID 2738416) has the molecular formula C23H24ClNO3 and a molecular weight of 397.90 g/mol. Its IUPAC name is (4-chlorophenyl)-[1-(2,2-dimethyl-3H-1-benzofuran-7-carbonyl)piperidin-4-yl]methanone.

Molecular Properties

Compound Name(4-chlorophenyl)-[1-(2,2-dimethyl-3H-1-benzofuran-7-carbonyl)piperidin-4-yl]methanone
PubChem CID2738416
Molecular FormulaC23H24ClNO3
Molecular Weight397.90 g/mol
Exact Mass397.14
IUPAC Name(4-chlorophenyl)-[1-(2,2-dimethyl-3H-1-benzofuran-7-carbonyl)piperidin-4-yl]methanone
SMILESCC1(C)Cc2cccc(C(=O)N3CCC(C(=O)c4ccc(Cl)cc4)CC3)c2O1
InChIInChI=1S/C23H24ClNO3/c1-23(2)14-17-4-3-5-19(21(17)28-23)22(27)25-12-10-16(11-13-25)20(26)15-6-8-18(24)9-7-15/h3-9,16H,10-14H2,1-2H3
InChIKeySTQNUQHBJLBUGU-UHFFFAOYSA-N
XLogP4.79
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.90
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(2-chlorobenzoyl)piperidin-4-yl]-(4-chlorophenyl)methanone
CID 87042975
(4-chlorophenyl)-[1-(3-hydroxy-2-iodobenzoyl)piperidin-4-yl]methanone
CID 155555471
(4-benzhydrylpiperazin-1-yl)-(2,2-dimethyl-3H-1-benzofuran-7-yl)methanone
CID 2738415
[4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methylamino]piperidin-1-yl]-(2-fluorophenyl)methanone
CID 126793331
[1-(2-chloro-5-hydroxybenzoyl)piperidin-4-yl]-(4-chlorophenyl)methanone
CID 155533081
[1-(2-chlorobenzoyl)piperidin-4-yl]-(4-methoxyphenyl)methanone
CID 25473798
[1-(2,5-dichlorobenzoyl)piperidin-4-yl]-phenylmethanone
CID 17449620
[1-(2,4-dichlorobenzoyl)piperidin-4-yl]-(4-hydroxyphenyl)methanone
CID 24615468
[4-(2-chlorobenzoyl)piperazin-1-yl]-(4-chlorophenyl)methanone
CID 46550522
[1-(3-chloro-5-hydroxybenzoyl)piperidin-4-yl]-(4-chlorophenyl)methanone
CID 155515611
[1-(4-chloro-3-hydroxybenzoyl)piperidin-4-yl]-(4-chlorophenyl)methanone
CID 155535689
2-[4-(3-chlorobenzoyl)piperidine-1-carbonyl]benzoate
CID 6983797

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-[1-(2,2-dimethyl-3H-1-benzofuran-7-carbonyl)piperidin-4-yl]methanone?
The IUPAC name of (4-chlorophenyl)-[1-(2,2-dimethyl-3H-1-benzofuran-7-carbonyl)piperidin-4-yl]methanone (CID 2738416) is (4-chlorophenyl)-[1-(2,2-dimethyl-3H-1-benzofuran-7-carbonyl)piperidin-4-yl]methanone.
What is the SMILES notation for (4-chlorophenyl)-[1-(2,2-dimethyl-3H-1-benzofuran-7-carbonyl)piperidin-4-yl]methanone?
The canonical SMILES for (4-chlorophenyl)-[1-(2,2-dimethyl-3H-1-benzofuran-7-carbonyl)piperidin-4-yl]methanone is CC1(C)Cc2cccc(C(=O)N3CCC(C(=O)c4ccc(Cl)cc4)CC3)c2O1.
What is the InChIKey of (4-chlorophenyl)-[1-(2,2-dimethyl-3H-1-benzofuran-7-carbonyl)piperidin-4-yl]methanone?
The InChIKey is STQNUQHBJLBUGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClNO3/c1-23(2)14-17-4-3-5-19(21(17)28-23)22(27)25-12-10-16(11-13-25)20(26)15-6-8-18(24)9-7-15/h3-9,16H,10-14H2,1-2H3.
What are the key properties of (4-chlorophenyl)-[1-(2,2-dimethyl-3H-1-benzofuran-7-carbonyl)piperidin-4-yl]methanone?
(4-chlorophenyl)-[1-(2,2-dimethyl-3H-1-benzofuran-7-carbonyl)piperidin-4-yl]methanone has a molecular weight of 397.90 g/mol, XLogP of 4.79, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-[1-(2,2-dimethyl-3H-1-benzofuran-7-carbonyl)piperidin-4-yl]methanone is sourced from PubChem (CID 2738416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).