N-cyclopropyl-8-(1-fluorocyclobutanecarbonyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxamide

C16H22FN3O3 — CID 131686652

IUPACN-cyclopropyl-8-(1-fluorocyclobutanecarbonyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxamide
SMILESO=C(NC1CC1)C1=NOC2(CCN(C(=O)C3(F)CCC3)CC2)C1
InChIInChI=1S/C16H22FN3O3/c17-16(4-1-5-16)14(22)20-8-6-15(7-9-20)10-12(19-23-15)13(21)18-11-2-3-11/h11H,1-10H2,(H,18,21)
InChIKeyKGWIKOPEDKZRDJ-UHFFFAOYSA-N
MW323.37 g/mol
LogP1.29
Rot. Bonds3

About N-cyclopropyl-8-(1-fluorocyclobutanecarbonyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxamide

N-cyclopropyl-8-(1-fluorocyclobutanecarbonyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxamide (PubChem CID 131686652) has the molecular formula C16H22FN3O3 and a molecular weight of 323.37 g/mol. Its IUPAC name is N-cyclopropyl-8-(1-fluorocyclobutanecarbonyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-8-(1-fluorocyclobutanecarbonyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxamide
PubChem CID131686652
Molecular FormulaC16H22FN3O3
Molecular Weight323.37 g/mol
Exact Mass323.16
IUPAC NameN-cyclopropyl-8-(1-fluorocyclobutanecarbonyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxamide
SMILESO=C(NC1CC1)C1=NOC2(CCN(C(=O)C3(F)CCC3)CC2)C1
InChIInChI=1S/C16H22FN3O3/c17-16(4-1-5-16)14(22)20-8-6-15(7-9-20)10-12(19-23-15)13(21)18-11-2-3-11/h11H,1-10H2,(H,18,21)
InChIKeyKGWIKOPEDKZRDJ-UHFFFAOYSA-N
XLogP1.29
TPSA71.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.37
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 10222019
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7-N-cyclopentyl-3-N-[(5-methylpyrazin-2-yl)methyl]-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3,7-dicarboxamide
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(1-fluorocyclobutyl)-piperidin-1-ylmethanone
CID 126992878
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CID 131682600

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-8-(1-fluorocyclobutanecarbonyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxamide?
The IUPAC name of N-cyclopropyl-8-(1-fluorocyclobutanecarbonyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxamide (CID 131686652) is N-cyclopropyl-8-(1-fluorocyclobutanecarbonyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxamide.
What is the SMILES notation for N-cyclopropyl-8-(1-fluorocyclobutanecarbonyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxamide?
The canonical SMILES for N-cyclopropyl-8-(1-fluorocyclobutanecarbonyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxamide is O=C(NC1CC1)C1=NOC2(CCN(C(=O)C3(F)CCC3)CC2)C1.
What is the InChIKey of N-cyclopropyl-8-(1-fluorocyclobutanecarbonyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxamide?
The InChIKey is KGWIKOPEDKZRDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FN3O3/c17-16(4-1-5-16)14(22)20-8-6-15(7-9-20)10-12(19-23-15)13(21)18-11-2-3-11/h11H,1-10H2,(H,18,21).
What are the key properties of N-cyclopropyl-8-(1-fluorocyclobutanecarbonyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxamide?
N-cyclopropyl-8-(1-fluorocyclobutanecarbonyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxamide has a molecular weight of 323.37 g/mol, XLogP of 1.29, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-8-(1-fluorocyclobutanecarbonyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxamide is sourced from PubChem (CID 131686652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).