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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Related Compounds

N-methyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 8001903
4-(1-benzyl-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]butanamide
CID 15989301
N-(3,4-dimethoxyphenyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 841491
3-[2-(3,4-dimethoxyphenyl)ethyl]-6,7-diethoxyquinazoline-2,4(1H,3H)-dione
CID 3240040
2-{4-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]piperazin-1-yl}-N-(4-ethoxyphenyl)acetamide
CID 3241777
N-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-2-ethyl-6,7-dimethoxy-1-oxo-1,2-dihydroisoquinoline-4-carboxamide
CID 5308052
1-(4-methoxyphenyl)-4-[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]-2H-pyrrol-5-one
CID 10477339
2-{2-[4-(2,3-Dihydro-benzo[1,4]dioxine-6-carbonyl)-piperidin-1-yl]-acetylamino}-benzoic acid methyl ester
CID 649294
2,3-Dihydro-benzo[1,4]dioxine-6-carboxylic acid (4-piperidin-1-yl-phenyl)-amide
CID 774966
N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbonyl)-N'-[4-(4-morpholinyl)phenyl]thiourea
CID 1048332
Ethyl 4-[[1-(3,4-dimethoxybenzoyl)piperidine-4-carbonyl]amino]benzoate
CID 1072833
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(2-methylbenzoyl)piperidine-4-carboxamide
CID 1072840

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).