[3-[(4-chlorophenyl)methyl]-3-methyl-2H-1-benzofuran-6-yl]-piperidin-1-ylmethanone

C22H24ClNO2 — CID 44626400

IUPAC[3-[(4-chlorophenyl)methyl]-3-methyl-2H-1-benzofuran-6-yl]-piperidin-1-ylmethanone
SMILESCC1(Cc2ccc(Cl)cc2)COc2cc(C(=O)N3CCCCC3)ccc21
InChIInChI=1S/C22H24ClNO2/c1-22(14-16-5-8-18(23)9-6-16)15-26-20-13-17(7-10-19(20)22)21(25)24-11-3-2-4-12-24/h5-10,13H,2-4,11-12,14-15H2,1H3
InChIKeyBAXHQVTWHKSLQH-UHFFFAOYSA-N
MW369.89 g/mol
LogP4.86
Rot. Bonds3

About [3-[(4-chlorophenyl)methyl]-3-methyl-2H-1-benzofuran-6-yl]-piperidin-1-ylmethanone

[3-[(4-chlorophenyl)methyl]-3-methyl-2H-1-benzofuran-6-yl]-piperidin-1-ylmethanone (PubChem CID 44626400) has the molecular formula C22H24ClNO2 and a molecular weight of 369.89 g/mol. Its IUPAC name is [3-[(4-chlorophenyl)methyl]-3-methyl-2H-1-benzofuran-6-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[3-[(4-chlorophenyl)methyl]-3-methyl-2H-1-benzofuran-6-yl]-piperidin-1-ylmethanone
PubChem CID44626400
Molecular FormulaC22H24ClNO2
Molecular Weight369.89 g/mol
Exact Mass369.15
IUPAC Name[3-[(4-chlorophenyl)methyl]-3-methyl-2H-1-benzofuran-6-yl]-piperidin-1-ylmethanone
SMILESCC1(Cc2ccc(Cl)cc2)COc2cc(C(=O)N3CCCCC3)ccc21
InChIInChI=1S/C22H24ClNO2/c1-22(14-16-5-8-18(23)9-6-16)15-26-20-13-17(7-10-19(20)22)21(25)24-11-3-2-4-12-24/h5-10,13H,2-4,11-12,14-15H2,1H3
InChIKeyBAXHQVTWHKSLQH-UHFFFAOYSA-N
XLogP4.86
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.89
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[(3R)-3-benzyl-3-(hydroxymethyl)-2H-1-benzofuran-6-yl]-piperidin-1-ylmethanone
CID 102485815
(1-benzyl-1-methyl-2,3-dihydroinden-5-yl)-piperidin-1-ylmethanone
CID 159024490
2,3-dihydro-1,4-benzodioxin-6-yl(piperidin-1-yl)methanone
CID 2890
[2,2-bis(3,5-dichlorophenyl)-1,3-benzodioxol-5-yl]-piperidin-1-ylmethanone
CID 22475141
2-chloro-N-(4-chlorophenyl)-N-methyl-5-(piperidine-1-carbonyl)benzenesulfonamide
CID 2460524
1-[4-(1,3-benzodioxole-5-carbonyl)piperazin-1-yl]-3-(4-chlorophenyl)propan-1-one
CID 108536946
N-[2-[4-(4-chlorobenzoyl)-1,4-diazepan-1-yl]-2-oxoethyl]-N-methylacetamide
CID 136578938
4-chloro-N-methyl-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]benzenesulfonamide
CID 53278707
azocan-1-yl-(3-chloro-4-iodophenyl)methanone
CID 103221109
(2-methyl-1,3-benzodioxol-5-yl)-piperidin-1-ylmethanone
CID 11701530
2-(4-chlorophenyl)-N-[4-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 17173032
(3-chloro-4-methylphenyl)-pyrrolidin-1-ylmethanone
CID 1121352

Frequently Asked Questions

What is the IUPAC name of [3-[(4-chlorophenyl)methyl]-3-methyl-2H-1-benzofuran-6-yl]-piperidin-1-ylmethanone?
The IUPAC name of [3-[(4-chlorophenyl)methyl]-3-methyl-2H-1-benzofuran-6-yl]-piperidin-1-ylmethanone (CID 44626400) is [3-[(4-chlorophenyl)methyl]-3-methyl-2H-1-benzofuran-6-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [3-[(4-chlorophenyl)methyl]-3-methyl-2H-1-benzofuran-6-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [3-[(4-chlorophenyl)methyl]-3-methyl-2H-1-benzofuran-6-yl]-piperidin-1-ylmethanone is CC1(Cc2ccc(Cl)cc2)COc2cc(C(=O)N3CCCCC3)ccc21.
What is the InChIKey of [3-[(4-chlorophenyl)methyl]-3-methyl-2H-1-benzofuran-6-yl]-piperidin-1-ylmethanone?
The InChIKey is BAXHQVTWHKSLQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClNO2/c1-22(14-16-5-8-18(23)9-6-16)15-26-20-13-17(7-10-19(20)22)21(25)24-11-3-2-4-12-24/h5-10,13H,2-4,11-12,14-15H2,1H3.
What are the key properties of [3-[(4-chlorophenyl)methyl]-3-methyl-2H-1-benzofuran-6-yl]-piperidin-1-ylmethanone?
[3-[(4-chlorophenyl)methyl]-3-methyl-2H-1-benzofuran-6-yl]-piperidin-1-ylmethanone has a molecular weight of 369.89 g/mol, XLogP of 4.86, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(4-chlorophenyl)methyl]-3-methyl-2H-1-benzofuran-6-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 44626400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).