N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-2-[4-(4-methoxybenzoyl)piperidin-1-yl]acetamide

C26H27ClN2O4 — CID 26042056

IUPACN-[[5-(4-chlorophenyl)furan-2-yl]methyl]-2-[4-(4-methoxybenzoyl)piperidin-1-yl]acetamide
SMILESCOc1ccc(C(=O)C2CCN(CC(=O)NCc3ccc(-c4ccc(Cl)cc4)o3)CC2)cc1
InChIInChI=1S/C26H27ClN2O4/c1-32-22-8-4-19(5-9-22)26(31)20-12-14-29(15-13-20)17-25(30)28-16-23-10-11-24(33-23)18-2-6-21(27)7-3-18/h2-11,20H,12-17H2,1H3,(H,28,30)
InChIKeyASVCIHKPPQGQCA-UHFFFAOYSA-N
MW466.97 g/mol
LogP4.82
Rot. Bonds8

About N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-2-[4-(4-methoxybenzoyl)piperidin-1-yl]acetamide

N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-2-[4-(4-methoxybenzoyl)piperidin-1-yl]acetamide (PubChem CID 26042056) has the molecular formula C26H27ClN2O4 and a molecular weight of 466.97 g/mol. Its IUPAC name is N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-2-[4-(4-methoxybenzoyl)piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-[[5-(4-chlorophenyl)furan-2-yl]methyl]-2-[4-(4-methoxybenzoyl)piperidin-1-yl]acetamide
PubChem CID26042056
Molecular FormulaC26H27ClN2O4
Molecular Weight466.97 g/mol
Exact Mass466.17
IUPAC NameN-[[5-(4-chlorophenyl)furan-2-yl]methyl]-2-[4-(4-methoxybenzoyl)piperidin-1-yl]acetamide
SMILESCOc1ccc(C(=O)C2CCN(CC(=O)NCc3ccc(-c4ccc(Cl)cc4)o3)CC2)cc1
InChIInChI=1S/C26H27ClN2O4/c1-32-22-8-4-19(5-9-22)26(31)20-12-14-29(15-13-20)17-25(30)28-16-23-10-11-24(33-23)18-2-6-21(27)7-3-18/h2-11,20H,12-17H2,1H3,(H,28,30)
InChIKeyASVCIHKPPQGQCA-UHFFFAOYSA-N
XLogP4.82
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.97
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[2-[[5-(4-chlorophenyl)furan-2-yl]methylamino]-2-oxoethyl]piperazin-1-yl]-N-propylacetamide
CID 55381607
N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-2-[3-(methylamino)piperidin-1-yl]acetamide;hydrochloride
CID 119918882
2-[4-(4-methoxybenzoyl)piperidin-1-yl]-N-[(8-oxo-1,3,4,7-tetrahydropyrano[3,4-c]pyridin-6-yl)methyl]acetamide
CID 71227412
N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-2,4-dimethoxybenzamide
CID 9021349
4-[[2-[4-(4-methoxybenzoyl)piperidin-1-yl]acetyl]amino]benzamide
CID 16605975
N-(furan-2-ylmethyl)-2-[4-(4-methylbenzoyl)piperidin-1-yl]acetamide
CID 1437976
N-[[5-(4-bromophenyl)furan-2-yl]methyl]-2-(4-methoxyphenyl)acetamide
CID 24588403
N-[2-[4-(4-chlorobenzoyl)piperidin-1-yl]ethyl]-3-methoxybenzamide
CID 22322400
4-(4-acetylpiperazin-1-yl)-N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-4-oxobutanamide
CID 9480365
2,2,2-trifluoroethyl 4-[[5-(4-chlorophenyl)furan-2-yl]methylcarbamoyl]piperidine-1-carboxylate
CID 46532323
2-[3-(dimethylamino)pyrrolidin-1-yl]-N-[[5-(4-fluorophenyl)furan-2-yl]methyl]acetamide
CID 91767930
N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-4-fluorobenzamide
CID 54858020

Frequently Asked Questions

What is the IUPAC name of N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-2-[4-(4-methoxybenzoyl)piperidin-1-yl]acetamide?
The IUPAC name of N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-2-[4-(4-methoxybenzoyl)piperidin-1-yl]acetamide (CID 26042056) is N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-2-[4-(4-methoxybenzoyl)piperidin-1-yl]acetamide.
What is the SMILES notation for N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-2-[4-(4-methoxybenzoyl)piperidin-1-yl]acetamide?
The canonical SMILES for N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-2-[4-(4-methoxybenzoyl)piperidin-1-yl]acetamide is COc1ccc(C(=O)C2CCN(CC(=O)NCc3ccc(-c4ccc(Cl)cc4)o3)CC2)cc1.
What is the InChIKey of N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-2-[4-(4-methoxybenzoyl)piperidin-1-yl]acetamide?
The InChIKey is ASVCIHKPPQGQCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27ClN2O4/c1-32-22-8-4-19(5-9-22)26(31)20-12-14-29(15-13-20)17-25(30)28-16-23-10-11-24(33-23)18-2-6-21(27)7-3-18/h2-11,20H,12-17H2,1H3,(H,28,30).
What are the key properties of N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-2-[4-(4-methoxybenzoyl)piperidin-1-yl]acetamide?
N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-2-[4-(4-methoxybenzoyl)piperidin-1-yl]acetamide has a molecular weight of 466.97 g/mol, XLogP of 4.82, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-2-[4-(4-methoxybenzoyl)piperidin-1-yl]acetamide is sourced from PubChem (CID 26042056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).