N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-(6-methyl-1-benzofuran-3-yl)acetamide

C23H25ClN2O2 — CID 24504197

IUPACN-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-(6-methyl-1-benzofuran-3-yl)acetamide
SMILESCc1ccc2c(CC(=O)NC3CCN(Cc4ccc(Cl)cc4)CC3)coc2c1
InChIInChI=1S/C23H25ClN2O2/c1-16-2-7-21-18(15-28-22(21)12-16)13-23(27)25-20-8-10-26(11-9-20)14-17-3-5-19(24)6-4-17/h2-7,12,15,20H,8-11,13-14H2,1H3,(H,25,27)
InChIKeyJSYJNJFRICDWRJ-UHFFFAOYSA-N
MW396.92 g/mol
LogP4.72
Rot. Bonds5

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

N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-(6-methyl-1-benzofuran-3-yl)acetamide (PubChem CID 24504197) has the molecular formula C23H25ClN2O2 and a molecular weight of 396.92 g/mol. Its IUPAC name is N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-(6-methyl-1-benzofuran-3-yl)acetamide.

Molecular Properties

Compound NameN-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-(6-methyl-1-benzofuran-3-yl)acetamide
PubChem CID24504197
Molecular FormulaC23H25ClN2O2
Molecular Weight396.92 g/mol
Exact Mass396.16
IUPAC NameN-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-(6-methyl-1-benzofuran-3-yl)acetamide
SMILESCc1ccc2c(CC(=O)NC3CCN(Cc4ccc(Cl)cc4)CC3)coc2c1
InChIInChI=1S/C23H25ClN2O2/c1-16-2-7-21-18(15-28-22(21)12-16)13-23(27)25-20-8-10-26(11-9-20)14-17-3-5-19(24)6-4-17/h2-7,12,15,20H,8-11,13-14H2,1H3,(H,25,27)
InChIKeyJSYJNJFRICDWRJ-UHFFFAOYSA-N
XLogP4.72
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.92
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-(3,4-dimethylphenyl)acetamide
CID 18121031
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-(4-hydroxyphenyl)acetamide
CID 78822391
2-(6-methoxy-1-benzofuran-3-yl)-N-(1-propylpiperidin-4-yl)acetamide
CID 78809882
2-(6-methyl-1-benzofuran-3-yl)-N-(1-phenylpiperidin-3-yl)acetamide
CID 86954354
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-methoxy-5-methylbenzamide
CID 8590309
2-(6-methyl-1-benzofuran-3-yl)-N-[(6R)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]acetamide
CID 95135863
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-(2-methoxyphenyl)acetamide
CID 18121021
N-(1-benzylpiperidin-4-yl)-2-(3-methylphenyl)acetamide
CID 6465155
N-(3,5-dichlorophenyl)-2-(6-methyl-1-benzofuran-3-yl)acetamide
CID 3968592
(E)-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-(3-methylphenyl)prop-2-enamide
CID 8590280
2-(6-methyl-1-benzofuran-3-yl)-N-[(2S)-1-pyrrolidin-1-ylbutan-2-yl]acetamide
CID 51505096
N-(1-acetylpiperidin-4-yl)-2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]acetamide
CID 55446686

Frequently Asked Questions

What is the IUPAC name of N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-(6-methyl-1-benzofuran-3-yl)acetamide?
The IUPAC name of N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-(6-methyl-1-benzofuran-3-yl)acetamide (CID 24504197) is N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-(6-methyl-1-benzofuran-3-yl)acetamide.
What is the SMILES notation for N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-(6-methyl-1-benzofuran-3-yl)acetamide?
The canonical SMILES for N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-(6-methyl-1-benzofuran-3-yl)acetamide is Cc1ccc2c(CC(=O)NC3CCN(Cc4ccc(Cl)cc4)CC3)coc2c1.
What is the InChIKey of N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-(6-methyl-1-benzofuran-3-yl)acetamide?
The InChIKey is JSYJNJFRICDWRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClN2O2/c1-16-2-7-21-18(15-28-22(21)12-16)13-23(27)25-20-8-10-26(11-9-20)14-17-3-5-19(24)6-4-17/h2-7,12,15,20H,8-11,13-14H2,1H3,(H,25,27).
What are the key properties of N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-(6-methyl-1-benzofuran-3-yl)acetamide?
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-(6-methyl-1-benzofuran-3-yl)acetamide has a molecular weight of 396.92 g/mol, XLogP of 4.72, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-(6-methyl-1-benzofuran-3-yl)acetamide is sourced from PubChem (CID 24504197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).