2-[1-(3,4-dichlorophenyl)-4-hydroxypiperidin-4-yl]-N-(2-oxo-3H-furo[3,2-b]pyridin-6-yl)acetamide

C20H19Cl2N3O4 — CID 58350853

IUPAC2-[1-(3,4-dichlorophenyl)-4-hydroxypiperidin-4-yl]-N-(2-oxo-3H-furo[3,2-b]pyridin-6-yl)acetamide
SMILESO=C(CC1(O)CCN(c2ccc(Cl)c(Cl)c2)CC1)Nc1cnc2c(c1)OC(=O)C2
InChIInChI=1S/C20H19Cl2N3O4/c21-14-2-1-13(8-15(14)22)25-5-3-20(28,4-6-25)10-18(26)24-12-7-17-16(23-11-12)9-19(27)29-17/h1-2,7-8,11,28H,3-6,9-10H2,(H,24,26)
InChIKeyMJIQFIIBYOXGBK-UHFFFAOYSA-N
MW436.30 g/mol
LogP3.21
Rot. Bonds4

About 2-[1-(3,4-dichlorophenyl)-4-hydroxypiperidin-4-yl]-N-(2-oxo-3H-furo[3,2-b]pyridin-6-yl)acetamide

2-[1-(3,4-dichlorophenyl)-4-hydroxypiperidin-4-yl]-N-(2-oxo-3H-furo[3,2-b]pyridin-6-yl)acetamide (PubChem CID 58350853) has the molecular formula C20H19Cl2N3O4 and a molecular weight of 436.30 g/mol. Its IUPAC name is 2-[1-(3,4-dichlorophenyl)-4-hydroxypiperidin-4-yl]-N-(2-oxo-3H-furo[3,2-b]pyridin-6-yl)acetamide.

Molecular Properties

Compound Name2-[1-(3,4-dichlorophenyl)-4-hydroxypiperidin-4-yl]-N-(2-oxo-3H-furo[3,2-b]pyridin-6-yl)acetamide
PubChem CID58350853
Molecular FormulaC20H19Cl2N3O4
Molecular Weight436.30 g/mol
Exact Mass435.08
IUPAC Name2-[1-(3,4-dichlorophenyl)-4-hydroxypiperidin-4-yl]-N-(2-oxo-3H-furo[3,2-b]pyridin-6-yl)acetamide
SMILESO=C(CC1(O)CCN(c2ccc(Cl)c(Cl)c2)CC1)Nc1cnc2c(c1)OC(=O)C2
InChIInChI=1S/C20H19Cl2N3O4/c21-14-2-1-13(8-15(14)22)25-5-3-20(28,4-6-25)10-18(26)24-12-7-17-16(23-11-12)9-19(27)29-17/h1-2,7-8,11,28H,3-6,9-10H2,(H,24,26)
InChIKeyMJIQFIIBYOXGBK-UHFFFAOYSA-N
XLogP3.21
TPSA91.76 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.30
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[1-(3,4-dichlorophenyl)-4-hydroxypiperidin-4-yl]-N-(2-oxo-3H-furo[3,2-b]pyridin-6-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(2R)-4-(4-chloro-3-methylphenyl)-2-methylpiperazin-1-yl]-N-(2-oxo-3H-furo[3,2-b]pyridin-6-yl)acetamide
CID 58467361
6-[[2-[4-(4-chloro-3-methylphenyl)piperazin-1-yl]-2-oxoethyl]amino]-3H-furo[3,2-b]pyridin-2-one
CID 58467380
2-[(2R)-4-(3,5-difluoro-4-methoxyphenyl)-2-methylpiperazin-1-yl]-N-(2-oxo-3H-furo[3,2-b]pyridin-6-yl)acetamide
CID 58467508
2-[4-hydroxy-1-(4-propan-2-ylphenyl)piperidin-4-yl]-N-(2-oxo-3H-1,3-benzoxazol-6-yl)acetamide
CID 24809573
1-(3,4-dichlorophenyl)-4,4-difluoropiperidine
CID 117007805
2-[(2R)-4-(4-chloro-3-fluorophenyl)-2-methylpiperazin-1-yl]-N-(2-oxo-3H-1-benzofuran-6-yl)acetamide
CID 58467666
2-[4-(3,4-dichlorophenyl)piperazin-1-yl]-N-(4-nitrophenyl)acetamide
CID 22198786
3-[4-(3,4-dichlorophenyl)piperazin-1-yl]propanoic acid
CID 22337271
2-[4-(2,3-dihydro-1-benzofuran-5-yl)piperazin-1-yl]-N-(2-oxo-3H-1-benzofuran-6-yl)acetamide
CID 58467685
2-(3,4-dichlorophenyl)-N-(6-morpholin-4-yl-3-pyridinyl)acetamide
CID 17453496
2-(1-hydroxycyclohexyl)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]acetamide
CID 111536468
2-chloro-N-(2-chloro-5-morpholin-4-ylphenyl)acetamide
CID 43822469

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3,4-dichlorophenyl)-4-hydroxypiperidin-4-yl]-N-(2-oxo-3H-furo[3,2-b]pyridin-6-yl)acetamide?
The IUPAC name of 2-[1-(3,4-dichlorophenyl)-4-hydroxypiperidin-4-yl]-N-(2-oxo-3H-furo[3,2-b]pyridin-6-yl)acetamide (CID 58350853) is 2-[1-(3,4-dichlorophenyl)-4-hydroxypiperidin-4-yl]-N-(2-oxo-3H-furo[3,2-b]pyridin-6-yl)acetamide.
What is the SMILES notation for 2-[1-(3,4-dichlorophenyl)-4-hydroxypiperidin-4-yl]-N-(2-oxo-3H-furo[3,2-b]pyridin-6-yl)acetamide?
The canonical SMILES for 2-[1-(3,4-dichlorophenyl)-4-hydroxypiperidin-4-yl]-N-(2-oxo-3H-furo[3,2-b]pyridin-6-yl)acetamide is O=C(CC1(O)CCN(c2ccc(Cl)c(Cl)c2)CC1)Nc1cnc2c(c1)OC(=O)C2.
What is the InChIKey of 2-[1-(3,4-dichlorophenyl)-4-hydroxypiperidin-4-yl]-N-(2-oxo-3H-furo[3,2-b]pyridin-6-yl)acetamide?
The InChIKey is MJIQFIIBYOXGBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19Cl2N3O4/c21-14-2-1-13(8-15(14)22)25-5-3-20(28,4-6-25)10-18(26)24-12-7-17-16(23-11-12)9-19(27)29-17/h1-2,7-8,11,28H,3-6,9-10H2,(H,24,26).
What are the key properties of 2-[1-(3,4-dichlorophenyl)-4-hydroxypiperidin-4-yl]-N-(2-oxo-3H-furo[3,2-b]pyridin-6-yl)acetamide?
2-[1-(3,4-dichlorophenyl)-4-hydroxypiperidin-4-yl]-N-(2-oxo-3H-furo[3,2-b]pyridin-6-yl)acetamide has a molecular weight of 436.30 g/mol, XLogP of 3.21, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3,4-dichlorophenyl)-4-hydroxypiperidin-4-yl]-N-(2-oxo-3H-furo[3,2-b]pyridin-6-yl)acetamide is sourced from PubChem (CID 58350853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).