4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-N-(4-methoxyphenyl)piperidine-1-carboxamide

C22H24N2O5 — CID 24761970

IUPAC4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-N-(4-methoxyphenyl)piperidine-1-carboxamide
SMILESCOc1ccc(NC(=O)N2CCC(C(=O)c3ccc4c(c3)OCCO4)CC2)cc1
InChIInChI=1S/C22H24N2O5/c1-27-18-5-3-17(4-6-18)23-22(26)24-10-8-15(9-11-24)21(25)16-2-7-19-20(14-16)29-13-12-28-19/h2-7,14-15H,8-13H2,1H3,(H,23,26)
InChIKeyHUJKFWCBJGWVNQ-UHFFFAOYSA-N
MW396.44 g/mol
LogP3.59
Rot. Bonds4

About 4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-N-(4-methoxyphenyl)piperidine-1-carboxamide

4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-N-(4-methoxyphenyl)piperidine-1-carboxamide (PubChem CID 24761970) has the molecular formula C22H24N2O5 and a molecular weight of 396.44 g/mol. Its IUPAC name is 4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-N-(4-methoxyphenyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-N-(4-methoxyphenyl)piperidine-1-carboxamide
PubChem CID24761970
Molecular FormulaC22H24N2O5
Molecular Weight396.44 g/mol
Exact Mass396.17
IUPAC Name4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-N-(4-methoxyphenyl)piperidine-1-carboxamide
SMILESCOc1ccc(NC(=O)N2CCC(C(=O)c3ccc4c(c3)OCCO4)CC2)cc1
InChIInChI=1S/C22H24N2O5/c1-27-18-5-3-17(4-6-18)23-22(26)24-10-8-15(9-11-24)21(25)16-2-7-19-20(14-16)29-13-12-28-19/h2-7,14-15H,8-13H2,1H3,(H,23,26)
InChIKeyHUJKFWCBJGWVNQ-UHFFFAOYSA-N
XLogP3.59
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.44
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-N-(4-methoxyphenyl)piperidine-1-carboxamide?
The IUPAC name of 4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-N-(4-methoxyphenyl)piperidine-1-carboxamide (CID 24761970) is 4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-N-(4-methoxyphenyl)piperidine-1-carboxamide.
What is the SMILES notation for 4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-N-(4-methoxyphenyl)piperidine-1-carboxamide?
The canonical SMILES for 4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-N-(4-methoxyphenyl)piperidine-1-carboxamide is COc1ccc(NC(=O)N2CCC(C(=O)c3ccc4c(c3)OCCO4)CC2)cc1.
What is the InChIKey of 4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-N-(4-methoxyphenyl)piperidine-1-carboxamide?
The InChIKey is HUJKFWCBJGWVNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O5/c1-27-18-5-3-17(4-6-18)23-22(26)24-10-8-15(9-11-24)21(25)16-2-7-19-20(14-16)29-13-12-28-19/h2-7,14-15H,8-13H2,1H3,(H,23,26).
What are the key properties of 4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-N-(4-methoxyphenyl)piperidine-1-carboxamide?
4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-N-(4-methoxyphenyl)piperidine-1-carboxamide has a molecular weight of 396.44 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-N-(4-methoxyphenyl)piperidine-1-carboxamide is sourced from PubChem (CID 24761970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).