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

C21H30N2O4 — CID 56684429

IUPAC1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2-morpholin-4-ylpropyl)cyclopentane-1-carboxamide
SMILESCC(CNC(=O)C1(c2ccc3c(c2)OCCO3)CCCC1)N1CCOCC1
InChIInChI=1S/C21H30N2O4/c1-16(23-8-10-25-11-9-23)15-22-20(24)21(6-2-3-7-21)17-4-5-18-19(14-17)27-13-12-26-18/h4-5,14,16H,2-3,6-13,15H2,1H3,(H,22,24)
InChIKeyHOUDSXWLDHJFAY-UHFFFAOYSA-N
MW374.48 g/mol
LogP2.11
Rot. Bonds5

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

1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2-morpholin-4-ylpropyl)cyclopentane-1-carboxamide (PubChem CID 56684429) has the molecular formula C21H30N2O4 and a molecular weight of 374.48 g/mol. Its IUPAC name is 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2-morpholin-4-ylpropyl)cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2-morpholin-4-ylpropyl)cyclopentane-1-carboxamide
PubChem CID56684429
Molecular FormulaC21H30N2O4
Molecular Weight374.48 g/mol
Exact Mass374.22
IUPAC Name1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2-morpholin-4-ylpropyl)cyclopentane-1-carboxamide
SMILESCC(CNC(=O)C1(c2ccc3c(c2)OCCO3)CCCC1)N1CCOCC1
InChIInChI=1S/C21H30N2O4/c1-16(23-8-10-25-11-9-23)15-22-20(24)21(6-2-3-7-21)17-4-5-18-19(14-17)27-13-12-26-18/h4-5,14,16H,2-3,6-13,15H2,1H3,(H,22,24)
InChIKeyHOUDSXWLDHJFAY-UHFFFAOYSA-N
XLogP2.11
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.48
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2-morpholin-4-ylpropyl)cyclopentane-1-carboxamide?
The IUPAC name of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2-morpholin-4-ylpropyl)cyclopentane-1-carboxamide (CID 56684429) is 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2-morpholin-4-ylpropyl)cyclopentane-1-carboxamide.
What is the SMILES notation for 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2-morpholin-4-ylpropyl)cyclopentane-1-carboxamide?
The canonical SMILES for 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2-morpholin-4-ylpropyl)cyclopentane-1-carboxamide is CC(CNC(=O)C1(c2ccc3c(c2)OCCO3)CCCC1)N1CCOCC1.
What is the InChIKey of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2-morpholin-4-ylpropyl)cyclopentane-1-carboxamide?
The InChIKey is HOUDSXWLDHJFAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2O4/c1-16(23-8-10-25-11-9-23)15-22-20(24)21(6-2-3-7-21)17-4-5-18-19(14-17)27-13-12-26-18/h4-5,14,16H,2-3,6-13,15H2,1H3,(H,22,24).
What are the key properties of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2-morpholin-4-ylpropyl)cyclopentane-1-carboxamide?
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2-morpholin-4-ylpropyl)cyclopentane-1-carboxamide has a molecular weight of 374.48 g/mol, XLogP of 2.11, 5 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-(2-morpholin-4-ylpropyl)cyclopentane-1-carboxamide is sourced from PubChem (CID 56684429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).