1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-[5-(2-methylcyclopropyl)furan-2-yl]propan-1-one

C18H25NO4 — CID 71942741

IUPAC1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-[5-(2-methylcyclopropyl)furan-2-yl]propan-1-one
SMILESCC1CC1c1ccc(CCC(=O)N2CCC3(CC2)OCCO3)o1
InChIInChI=1S/C18H25NO4/c1-13-12-15(13)16-4-2-14(23-16)3-5-17(20)19-8-6-18(7-9-19)21-10-11-22-18/h2,4,13,15H,3,5-12H2,1H3
InChIKeyZKZDFJOKCDPSKD-UHFFFAOYSA-N
MW319.40 g/mol
LogP2.70
Rot. Bonds4

About 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-[5-(2-methylcyclopropyl)furan-2-yl]propan-1-one

1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-[5-(2-methylcyclopropyl)furan-2-yl]propan-1-one (PubChem CID 71942741) has the molecular formula C18H25NO4 and a molecular weight of 319.40 g/mol. Its IUPAC name is 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-[5-(2-methylcyclopropyl)furan-2-yl]propan-1-one.

Molecular Properties

Compound Name1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-[5-(2-methylcyclopropyl)furan-2-yl]propan-1-one
PubChem CID71942741
Molecular FormulaC18H25NO4
Molecular Weight319.40 g/mol
Exact Mass319.18
IUPAC Name1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-[5-(2-methylcyclopropyl)furan-2-yl]propan-1-one
SMILESCC1CC1c1ccc(CCC(=O)N2CCC3(CC2)OCCO3)o1
InChIInChI=1S/C18H25NO4/c1-13-12-15(13)16-4-2-14(23-16)3-5-17(20)19-8-6-18(7-9-19)21-10-11-22-18/h2,4,13,15H,3,5-12H2,1H3
InChIKeyZKZDFJOKCDPSKD-UHFFFAOYSA-N
XLogP2.70
TPSA51.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]-1-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]propan-1-one
CID 94029312
1-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]-3-[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]propan-1-one
CID 98761551
3-[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one
CID 94472444
3-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]-1-[4-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]propan-1-one
CID 94120307
3-[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]-1-[(2R)-2-methylpiperidin-1-yl]propan-1-one
CID 124811218
1-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-3-[5-(2-methylcyclopropyl)furan-2-yl]propan-1-one
CID 71927931
1-[1-[3-[5-(2-methylcyclopropyl)furan-2-yl]propanoyl]piperidin-4-yl]imidazolidin-2-one
CID 56816833
1-[1-[3-[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]propanoyl]piperidin-4-yl]imidazolidin-2-one
CID 94628029
1-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-yl]-3-[5-(2-methylcyclopropyl)furan-2-yl]propan-1-one
CID 55445981
N-[[(3R)-1-[3-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]propanoyl]piperidin-3-yl]methyl]methanesulfonamide
CID 100854495
1-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-3-[5-(2-methylcyclopropyl)furan-2-yl]propan-1-one
CID 55447919
methyl 3-[5-(2-methylcyclopropyl)furan-2-yl]propanoate
CID 112723028

Frequently Asked Questions

What is the IUPAC name of 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-[5-(2-methylcyclopropyl)furan-2-yl]propan-1-one?
The IUPAC name of 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-[5-(2-methylcyclopropyl)furan-2-yl]propan-1-one (CID 71942741) is 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-[5-(2-methylcyclopropyl)furan-2-yl]propan-1-one.
What is the SMILES notation for 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-[5-(2-methylcyclopropyl)furan-2-yl]propan-1-one?
The canonical SMILES for 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-[5-(2-methylcyclopropyl)furan-2-yl]propan-1-one is CC1CC1c1ccc(CCC(=O)N2CCC3(CC2)OCCO3)o1.
What is the InChIKey of 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-[5-(2-methylcyclopropyl)furan-2-yl]propan-1-one?
The InChIKey is ZKZDFJOKCDPSKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO4/c1-13-12-15(13)16-4-2-14(23-16)3-5-17(20)19-8-6-18(7-9-19)21-10-11-22-18/h2,4,13,15H,3,5-12H2,1H3.
What are the key properties of 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-[5-(2-methylcyclopropyl)furan-2-yl]propan-1-one?
1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-[5-(2-methylcyclopropyl)furan-2-yl]propan-1-one has a molecular weight of 319.40 g/mol, XLogP of 2.70, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-[5-(2-methylcyclopropyl)furan-2-yl]propan-1-one is sourced from PubChem (CID 71942741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).