2-cyclopropyl-N-[9-(5-fluoropyrimidin-2-yl)-3-oxa-9-azaspiro[5.5]undecan-5-yl]acetamide

C18H25FN4O2 — CID 131653059

IUPAC2-cyclopropyl-N-[9-(5-fluoropyrimidin-2-yl)-3-oxa-9-azaspiro[5.5]undecan-5-yl]acetamide
SMILESO=C(CC1CC1)NC1COCCC12CCN(c1ncc(F)cn1)CC2
InChIInChI=1S/C18H25FN4O2/c19-14-10-20-17(21-11-14)23-6-3-18(4-7-23)5-8-25-12-15(18)22-16(24)9-13-1-2-13/h10-11,13,15H,1-9,12H2,(H,22,24)
InChIKeyOXFXZAHSRDFAAS-UHFFFAOYSA-N
MW348.42 g/mol
LogP1.91
Rot. Bonds4

About 2-cyclopropyl-N-[9-(5-fluoropyrimidin-2-yl)-3-oxa-9-azaspiro[5.5]undecan-5-yl]acetamide

2-cyclopropyl-N-[9-(5-fluoropyrimidin-2-yl)-3-oxa-9-azaspiro[5.5]undecan-5-yl]acetamide (PubChem CID 131653059) has the molecular formula C18H25FN4O2 and a molecular weight of 348.42 g/mol. Its IUPAC name is 2-cyclopropyl-N-[9-(5-fluoropyrimidin-2-yl)-3-oxa-9-azaspiro[5.5]undecan-5-yl]acetamide.

Molecular Properties

Compound Name2-cyclopropyl-N-[9-(5-fluoropyrimidin-2-yl)-3-oxa-9-azaspiro[5.5]undecan-5-yl]acetamide
PubChem CID131653059
Molecular FormulaC18H25FN4O2
Molecular Weight348.42 g/mol
Exact Mass348.20
IUPAC Name2-cyclopropyl-N-[9-(5-fluoropyrimidin-2-yl)-3-oxa-9-azaspiro[5.5]undecan-5-yl]acetamide
SMILESO=C(CC1CC1)NC1COCCC12CCN(c1ncc(F)cn1)CC2
InChIInChI=1S/C18H25FN4O2/c19-14-10-20-17(21-11-14)23-6-3-18(4-7-23)5-8-25-12-15(18)22-16(24)9-13-1-2-13/h10-11,13,15H,1-9,12H2,(H,22,24)
InChIKeyOXFXZAHSRDFAAS-UHFFFAOYSA-N
XLogP1.91
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.42
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

9-(5-Fluoro-2-pyrimidinyl)-2-(tetrahydro-2-furanylmethyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72851568
2-Cyclopropyl-1-[4-(5-fluoropyrimidin-2-yl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]ethanone
CID 97451026
9-(5-methylpyrimidin-2-yl)-N-propan-2-yl-2-oxa-9-azaspiro[5.5]undecane-3-carboxamide
CID 118738938
[2-(5-Fluoropyrimidin-2-yl)-8-oxa-2-azaspiro[4.5]decan-4-yl]-morpholin-4-ylmethanone
CID 118739029
1'-(5-fluoropyrimidin-2-yl)-N-(2-methoxyethyl)-1,4'-bipiperidine-3-carboxamide
CID 56863879
N-[(1r,4r)-4-(5-fluoro-2-pyrimidinyloxy)cyclohexyl]-1-acetyl-4-piperidinecarboxamide
CID 91626362
(3S)-N-cyclopropyl-1-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]piperidine-3-carboxamide
CID 95556528
9-[5-fluoro-4-(methylamino)pyrimidin-2-yl]-2-[[(2R)-oxolan-2-yl]methyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 97209012
2-Cyclopropyl-1-[8-(5-fluoropyrimidin-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]ethanone
CID 131644954
[1-(Cyclopropanecarbonyl)-2-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]oxymethyl]piperidin-3-yl]azanium
CID 163722662
[(2R,3S)-3-amino-2-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]oxymethyl]piperidin-1-yl]-cyclopropylmethanone
CID 166854164
1-[4-[[(5-Fluoro-4-morpholin-4-ylpyrimidin-2-yl)amino]methyl]piperidin-1-yl]-2-methylpropan-1-one
CID 50975283

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-[9-(5-fluoropyrimidin-2-yl)-3-oxa-9-azaspiro[5.5]undecan-5-yl]acetamide?
The IUPAC name of 2-cyclopropyl-N-[9-(5-fluoropyrimidin-2-yl)-3-oxa-9-azaspiro[5.5]undecan-5-yl]acetamide (CID 131653059) is 2-cyclopropyl-N-[9-(5-fluoropyrimidin-2-yl)-3-oxa-9-azaspiro[5.5]undecan-5-yl]acetamide.
What is the SMILES notation for 2-cyclopropyl-N-[9-(5-fluoropyrimidin-2-yl)-3-oxa-9-azaspiro[5.5]undecan-5-yl]acetamide?
The canonical SMILES for 2-cyclopropyl-N-[9-(5-fluoropyrimidin-2-yl)-3-oxa-9-azaspiro[5.5]undecan-5-yl]acetamide is O=C(CC1CC1)NC1COCCC12CCN(c1ncc(F)cn1)CC2.
What is the InChIKey of 2-cyclopropyl-N-[9-(5-fluoropyrimidin-2-yl)-3-oxa-9-azaspiro[5.5]undecan-5-yl]acetamide?
The InChIKey is OXFXZAHSRDFAAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25FN4O2/c19-14-10-20-17(21-11-14)23-6-3-18(4-7-23)5-8-25-12-15(18)22-16(24)9-13-1-2-13/h10-11,13,15H,1-9,12H2,(H,22,24).
What are the key properties of 2-cyclopropyl-N-[9-(5-fluoropyrimidin-2-yl)-3-oxa-9-azaspiro[5.5]undecan-5-yl]acetamide?
2-cyclopropyl-N-[9-(5-fluoropyrimidin-2-yl)-3-oxa-9-azaspiro[5.5]undecan-5-yl]acetamide has a molecular weight of 348.42 g/mol, XLogP of 1.91, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-[9-(5-fluoropyrimidin-2-yl)-3-oxa-9-azaspiro[5.5]undecan-5-yl]acetamide is sourced from PubChem (CID 131653059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).