4-morpholin-4-yl-4-oxo-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylbutanamide

C19H24N2O5 — CID 17476459

IUPAC4-morpholin-4-yl-4-oxo-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylbutanamide
SMILESO=C(CCC(=O)N1CCOCC1)Nc1ccc2c(c1)OC1(CCCC1)O2
InChIInChI=1S/C19H24N2O5/c22-17(5-6-18(23)21-9-11-24-12-10-21)20-14-3-4-15-16(13-14)26-19(25-15)7-1-2-8-19/h3-4,13H,1-2,5-12H2,(H,20,22)
InChIKeySAYULZXTVAQOAP-UHFFFAOYSA-N
MW360.41 g/mol
LogP2.31
Rot. Bonds4

About 4-morpholin-4-yl-4-oxo-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylbutanamide

4-morpholin-4-yl-4-oxo-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylbutanamide (PubChem CID 17476459) has the molecular formula C19H24N2O5 and a molecular weight of 360.41 g/mol. Its IUPAC name is 4-morpholin-4-yl-4-oxo-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylbutanamide.

Molecular Properties

Compound Name4-morpholin-4-yl-4-oxo-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylbutanamide
PubChem CID17476459
Molecular FormulaC19H24N2O5
Molecular Weight360.41 g/mol
Exact Mass360.17
IUPAC Name4-morpholin-4-yl-4-oxo-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylbutanamide
SMILESO=C(CCC(=O)N1CCOCC1)Nc1ccc2c(c1)OC1(CCCC1)O2
InChIInChI=1S/C19H24N2O5/c22-17(5-6-18(23)21-9-11-24-12-10-21)20-14-3-4-15-16(13-14)26-19(25-15)7-1-2-8-19/h3-4,13H,1-2,5-12H2,(H,20,22)
InChIKeySAYULZXTVAQOAP-UHFFFAOYSA-N
XLogP2.31
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,4-dichlorophenyl)-4-morpholin-4-yl-4-oxobutanamide
CID 6456922
2-(methylamino)-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylacetamide
CID 120703453
2-(2-oxopyrrolidin-1-yl)-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylacetamide
CID 17474217
4-morpholin-4-yl-4-oxo-N-phenylbutanamide
CID 9341047
N-(3-iodophenyl)-4-morpholin-4-yl-4-oxobutanamide
CID 47102072
N-[3-oxo-3-(spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylamino)propyl]cyclopentanecarboxamide
CID 39928678
2-ethoxy-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylacetamide
CID 78785716
2-(4-hydroxyphenyl)-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylacetamide
CID 78837912
3-(4-fluorophenyl)sulfanyl-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylpropanamide
CID 112764858
4-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylbutanamide
CID 17420767
2-[4-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]piperazin-1-yl]-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylacetamide
CID 30955540
2-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylacetamide
CID 17489362

Frequently Asked Questions

What is the IUPAC name of 4-morpholin-4-yl-4-oxo-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylbutanamide?
The IUPAC name of 4-morpholin-4-yl-4-oxo-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylbutanamide (CID 17476459) is 4-morpholin-4-yl-4-oxo-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylbutanamide.
What is the SMILES notation for 4-morpholin-4-yl-4-oxo-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylbutanamide?
The canonical SMILES for 4-morpholin-4-yl-4-oxo-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylbutanamide is O=C(CCC(=O)N1CCOCC1)Nc1ccc2c(c1)OC1(CCCC1)O2.
What is the InChIKey of 4-morpholin-4-yl-4-oxo-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylbutanamide?
The InChIKey is SAYULZXTVAQOAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O5/c22-17(5-6-18(23)21-9-11-24-12-10-21)20-14-3-4-15-16(13-14)26-19(25-15)7-1-2-8-19/h3-4,13H,1-2,5-12H2,(H,20,22).
What are the key properties of 4-morpholin-4-yl-4-oxo-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylbutanamide?
4-morpholin-4-yl-4-oxo-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylbutanamide has a molecular weight of 360.41 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-morpholin-4-yl-4-oxo-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylbutanamide is sourced from PubChem (CID 17476459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).