1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(4-morpholin-4-ylphenyl)cyclopentane-1-carboxamide

C24H28N2O4 — CID 25332750

IUPAC1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(4-morpholin-4-ylphenyl)cyclopentane-1-carboxamide
SMILESO=C(Nc1ccc(N2CCOCC2)cc1)C1(c2ccc3c(c2)OCCO3)CCCC1
InChIInChI=1S/C24H28N2O4/c27-23(25-19-4-6-20(7-5-19)26-11-13-28-14-12-26)24(9-1-2-10-24)18-3-8-21-22(17-18)30-16-15-29-21/h3-8,17H,1-2,9-16H2,(H,25,27)
InChIKeyQXILWHMUTUDTLD-UHFFFAOYSA-N
MW408.50 g/mol
LogP3.74
Rot. Bonds4

About 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(4-morpholin-4-ylphenyl)cyclopentane-1-carboxamide

1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(4-morpholin-4-ylphenyl)cyclopentane-1-carboxamide (PubChem CID 25332750) has the molecular formula C24H28N2O4 and a molecular weight of 408.50 g/mol. Its IUPAC name is 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(4-morpholin-4-ylphenyl)cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(4-morpholin-4-ylphenyl)cyclopentane-1-carboxamide
PubChem CID25332750
Molecular FormulaC24H28N2O4
Molecular Weight408.50 g/mol
Exact Mass408.20
IUPAC Name1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(4-morpholin-4-ylphenyl)cyclopentane-1-carboxamide
SMILESO=C(Nc1ccc(N2CCOCC2)cc1)C1(c2ccc3c(c2)OCCO3)CCCC1
InChIInChI=1S/C24H28N2O4/c27-23(25-19-4-6-20(7-5-19)26-11-13-28-14-12-26)24(9-1-2-10-24)18-3-8-21-22(17-18)30-16-15-29-21/h3-8,17H,1-2,9-16H2,(H,25,27)
InChIKeyQXILWHMUTUDTLD-UHFFFAOYSA-N
XLogP3.74
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.50
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

1-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]-3-(4-pyrrolidin-1-ylphenyl)urea
CID 113216057
[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]-morpholin-4-ylmethanone
CID 113198624
1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentane-1-carbohydrazide
CID 116844402
methyl 4-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropanecarbonyl]amino]benzoate
CID 113198757
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2-morpholin-4-ylpropyl)cyclopentane-1-carboxamide
CID 56684429
N-(3,5-dichlorophenyl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropane-1-carboxamide
CID 113198788
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[3-(2,2-dimethylpropanoylamino)phenyl]cyclopentane-1-carboxamide
CID 31816680
1-(4-fluorophenyl)-N-(3-morpholin-4-ylphenyl)cyclopentane-1-carboxamide
CID 55979337
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyl-N-[(4-piperidin-1-ylphenyl)methyl]cyclopentane-1-carboxamide
CID 55452456
1-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(4-morpholin-4-ylphenyl)cyclobutane-1-carboxamide
CID 67987762
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[3-(4-phenylpiperazin-1-yl)propyl]cyclopentane-1-carboxamide
CID 46483063
(2-morpholin-4-yl-2-oxoethyl) 1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentane-1-carboxylate
CID 26989506

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(4-morpholin-4-ylphenyl)cyclopentane-1-carboxamide?
The IUPAC name of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(4-morpholin-4-ylphenyl)cyclopentane-1-carboxamide (CID 25332750) is 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(4-morpholin-4-ylphenyl)cyclopentane-1-carboxamide.
What is the SMILES notation for 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(4-morpholin-4-ylphenyl)cyclopentane-1-carboxamide?
The canonical SMILES for 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(4-morpholin-4-ylphenyl)cyclopentane-1-carboxamide is O=C(Nc1ccc(N2CCOCC2)cc1)C1(c2ccc3c(c2)OCCO3)CCCC1.
What is the InChIKey of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(4-morpholin-4-ylphenyl)cyclopentane-1-carboxamide?
The InChIKey is QXILWHMUTUDTLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O4/c27-23(25-19-4-6-20(7-5-19)26-11-13-28-14-12-26)24(9-1-2-10-24)18-3-8-21-22(17-18)30-16-15-29-21/h3-8,17H,1-2,9-16H2,(H,25,27).
What are the key properties of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(4-morpholin-4-ylphenyl)cyclopentane-1-carboxamide?
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(4-morpholin-4-ylphenyl)cyclopentane-1-carboxamide has a molecular weight of 408.50 g/mol, XLogP of 3.74, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(4-morpholin-4-ylphenyl)cyclopentane-1-carboxamide is sourced from PubChem (CID 25332750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).