4-[2-(1-benzoylpiperidin-4-yl)-4H-1,3-benzodioxin-6-yl]-N-[2-(furan-2-yl)ethyl]benzamide

C33H32N2O5 — CID 69082324

IUPAC4-[2-(1-benzoylpiperidin-4-yl)-4H-1,3-benzodioxin-6-yl]-N-[2-(furan-2-yl)ethyl]benzamide
SMILESO=C(NCCc1ccco1)c1ccc(-c2ccc3c(c2)COC(C2CCN(C(=O)c4ccccc4)CC2)O3)cc1
InChIInChI=1S/C33H32N2O5/c36-31(34-17-14-29-7-4-20-38-29)24-10-8-23(9-11-24)27-12-13-30-28(21-27)22-39-33(40-30)26-15-18-35(19-16-26)32(37)25-5-2-1-3-6-25/h1-13,20-21,26,33H,14-19,22H2,(H,34,36)
InChIKeyBIWMXLZEVNIYJE-UHFFFAOYSA-N
MW536.63 g/mol
LogP5.71
Rot. Bonds7

About 4-[2-(1-benzoylpiperidin-4-yl)-4H-1,3-benzodioxin-6-yl]-N-[2-(furan-2-yl)ethyl]benzamide

4-[2-(1-benzoylpiperidin-4-yl)-4H-1,3-benzodioxin-6-yl]-N-[2-(furan-2-yl)ethyl]benzamide (PubChem CID 69082324) has the molecular formula C33H32N2O5 and a molecular weight of 536.63 g/mol. Its IUPAC name is 4-[2-(1-benzoylpiperidin-4-yl)-4H-1,3-benzodioxin-6-yl]-N-[2-(furan-2-yl)ethyl]benzamide.

Molecular Properties

Compound Name4-[2-(1-benzoylpiperidin-4-yl)-4H-1,3-benzodioxin-6-yl]-N-[2-(furan-2-yl)ethyl]benzamide
PubChem CID69082324
Molecular FormulaC33H32N2O5
Molecular Weight536.63 g/mol
Exact Mass536.23
IUPAC Name4-[2-(1-benzoylpiperidin-4-yl)-4H-1,3-benzodioxin-6-yl]-N-[2-(furan-2-yl)ethyl]benzamide
SMILESO=C(NCCc1ccco1)c1ccc(-c2ccc3c(c2)COC(C2CCN(C(=O)c4ccccc4)CC2)O3)cc1
InChIInChI=1S/C33H32N2O5/c36-31(34-17-14-29-7-4-20-38-29)24-10-8-23(9-11-24)27-12-13-30-28(21-27)22-39-33(40-30)26-15-18-35(19-16-26)32(37)25-5-2-1-3-6-25/h1-13,20-21,26,33H,14-19,22H2,(H,34,36)
InChIKeyBIWMXLZEVNIYJE-UHFFFAOYSA-N
XLogP5.71
TPSA81.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500536.63
LogP ≤ 55.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[2-(1-benzoylpiperidin-4-yl)-4H-1,3-benzodioxin-6-yl]-N-[2-(furan-2-yl)ethyl]benzamide with MolForge

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Related Compounds

4-[6-[4-(diethylcarbamoyl)phenyl]-4H-1,3-benzodioxin-2-yl]piperidine-1-carboxylic acid
CID 90932699
(1-methylcyclopropyl)methyl 4-[6-[4-(2-methoxyethylcarbamoyl)phenyl]-4H-1,3-benzodioxin-2-yl]piperidine-1-carboxylate
CID 69012974
N-[2-(furan-2-yl)ethyl]-2-[1-(2-phenyl-1,3-benzoxazole-6-carbonyl)piperidin-4-yl]acetamide
CID 20971769
N-[2-(furan-2-yl)ethyl]-4-methylbenzamide
CID 5305680
N-[(1R)-1-(1-benzoylpiperidin-4-yl)-2-(furan-2-ylmethylamino)-2-oxoethyl]benzamide
CID 93199355
N-(furan-2-ylmethyl)-4-(pyrrolidine-1-carbonyl)benzamide
CID 109044221
N-(1-benzoylpiperidin-4-yl)-4-phenylbenzamide
CID 108549483
1-benzoyl-N-[2-(furan-2-ylmethylsulfanyl)ethyl]piperidine-4-carboxamide
CID 3437366
N-[1-[1-(4-chlorobenzoyl)piperidin-4-yl]-2-(furan-2-ylmethylamino)-2-oxoethyl]benzamide
CID 46020304
N-[2-(4-benzoylpiperazin-1-yl)-2-oxoethyl]-4-phenylbenzamide
CID 25166103
N-[2-(furan-2-yl)ethyl]-2H-benzotriazole-5-carboxamide
CID 18126076
N-[2-oxo-2-[[1-(4-phenylbenzoyl)piperidin-4-yl]amino]ethyl]benzamide
CID 108550400

Frequently Asked Questions

What is the IUPAC name of 4-[2-(1-benzoylpiperidin-4-yl)-4H-1,3-benzodioxin-6-yl]-N-[2-(furan-2-yl)ethyl]benzamide?
The IUPAC name of 4-[2-(1-benzoylpiperidin-4-yl)-4H-1,3-benzodioxin-6-yl]-N-[2-(furan-2-yl)ethyl]benzamide (CID 69082324) is 4-[2-(1-benzoylpiperidin-4-yl)-4H-1,3-benzodioxin-6-yl]-N-[2-(furan-2-yl)ethyl]benzamide.
What is the SMILES notation for 4-[2-(1-benzoylpiperidin-4-yl)-4H-1,3-benzodioxin-6-yl]-N-[2-(furan-2-yl)ethyl]benzamide?
The canonical SMILES for 4-[2-(1-benzoylpiperidin-4-yl)-4H-1,3-benzodioxin-6-yl]-N-[2-(furan-2-yl)ethyl]benzamide is O=C(NCCc1ccco1)c1ccc(-c2ccc3c(c2)COC(C2CCN(C(=O)c4ccccc4)CC2)O3)cc1.
What is the InChIKey of 4-[2-(1-benzoylpiperidin-4-yl)-4H-1,3-benzodioxin-6-yl]-N-[2-(furan-2-yl)ethyl]benzamide?
The InChIKey is BIWMXLZEVNIYJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H32N2O5/c36-31(34-17-14-29-7-4-20-38-29)24-10-8-23(9-11-24)27-12-13-30-28(21-27)22-39-33(40-30)26-15-18-35(19-16-26)32(37)25-5-2-1-3-6-25/h1-13,20-21,26,33H,14-19,22H2,(H,34,36).
What are the key properties of 4-[2-(1-benzoylpiperidin-4-yl)-4H-1,3-benzodioxin-6-yl]-N-[2-(furan-2-yl)ethyl]benzamide?
4-[2-(1-benzoylpiperidin-4-yl)-4H-1,3-benzodioxin-6-yl]-N-[2-(furan-2-yl)ethyl]benzamide has a molecular weight of 536.63 g/mol, XLogP of 5.71, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(1-benzoylpiperidin-4-yl)-4H-1,3-benzodioxin-6-yl]-N-[2-(furan-2-yl)ethyl]benzamide is sourced from PubChem (CID 69082324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).