1-[4-(cyclopropylmethoxymethyl)-8-(5-fluoropyrimidin-2-yl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone

C19H27FN4O2 — CID 133142677

IUPAC1-[4-(cyclopropylmethoxymethyl)-8-(5-fluoropyrimidin-2-yl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone
SMILESCC(=O)N1CC(COCC2CC2)C2(CCN(c3ncc(F)cn3)CC2)C1
InChIInChI=1S/C19H27FN4O2/c1-14(25)24-10-16(12-26-11-15-2-3-15)19(13-24)4-6-23(7-5-19)18-21-8-17(20)9-22-18/h8-9,15-16H,2-7,10-13H2,1H3
InChIKeyCVAOKTKENFIOBA-UHFFFAOYSA-N
MW362.45 g/mol
LogP2.11
Rot. Bonds5

About 1-[4-(cyclopropylmethoxymethyl)-8-(5-fluoropyrimidin-2-yl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone

1-[4-(cyclopropylmethoxymethyl)-8-(5-fluoropyrimidin-2-yl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone (PubChem CID 133142677) has the molecular formula C19H27FN4O2 and a molecular weight of 362.45 g/mol. Its IUPAC name is 1-[4-(cyclopropylmethoxymethyl)-8-(5-fluoropyrimidin-2-yl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone.

Molecular Properties

Compound Name1-[4-(cyclopropylmethoxymethyl)-8-(5-fluoropyrimidin-2-yl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone
PubChem CID133142677
Molecular FormulaC19H27FN4O2
Molecular Weight362.45 g/mol
Exact Mass362.21
IUPAC Name1-[4-(cyclopropylmethoxymethyl)-8-(5-fluoropyrimidin-2-yl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone
SMILESCC(=O)N1CC(COCC2CC2)C2(CCN(c3ncc(F)cn3)CC2)C1
InChIInChI=1S/C19H27FN4O2/c1-14(25)24-10-16(12-26-11-15-2-3-15)19(13-24)4-6-23(7-5-19)18-21-8-17(20)9-22-18/h8-9,15-16H,2-7,10-13H2,1H3
InChIKeyCVAOKTKENFIOBA-UHFFFAOYSA-N
XLogP2.11
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.45
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[(3aR,7R,7aR)-2-(5-fluoropyrimidin-2-yl)-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-7-yl]-morpholin-4-ylmethanone
CID 97364622
[2-(5-Methylpyrimidin-2-yl)-8-oxa-2-azaspiro[4.5]decan-4-yl]-morpholin-4-ylmethanone
CID 118739019
[2-(5-Fluoropyrimidin-2-yl)-8-oxa-2-azaspiro[4.5]decan-4-yl]-morpholin-4-ylmethanone
CID 118739029
2,5-Dihydropyrrol-1-yl-[2-(5-fluoropyrimidin-2-yl)-8-oxa-2-azaspiro[4.5]decan-4-yl]methanone
CID 118742783
3-[2-[(3aS,7aR)-5-(5-fluoropyrimidin-2-yl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridin-3a-yl]ethyl]-1,1-dimethylurea
CID 97477281
2-(Cyclopropylmethyl)-8-(5-fluoropyrimidin-2-yl)-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-3-one
CID 133137216
(5S)-9-(5-fluoropyrimidin-2-yl)-2-(oxan-4-yl)-2,9-diazaspiro[4.5]decan-1-one
CID 57970791
(5R)-9-(5-fluoropyrimidin-2-yl)-2-(oxan-4-yl)-2,9-diazaspiro[4.5]decan-1-one
CID 58653392
9-(5-Fluoropyrimidin-2-yl)-2-(oxan-4-yl)-2,9-diazaspiro[4.5]decan-1-one
CID 67505667
8-[4-(Dimethylamino)-5-fluoro-2-pyrimidinyl]-2-(3-methoxypropyl)-2,8-diazaspiro[4.5]decan-3-one
CID 72897428
2-[(3aR,7S,7aS)-2-(5-fluoropyrimidin-2-yl)-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-7-yl]-N-(cyclopropylmethyl)acetamide
CID 97387656
1-[3-(5-Fluoropyrimidin-2-yl)-8-oxa-3,11-diazaspiro[5.6]dodecan-11-yl]ethanone
CID 97409580

Frequently Asked Questions

What is the IUPAC name of 1-[4-(cyclopropylmethoxymethyl)-8-(5-fluoropyrimidin-2-yl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone?
The IUPAC name of 1-[4-(cyclopropylmethoxymethyl)-8-(5-fluoropyrimidin-2-yl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone (CID 133142677) is 1-[4-(cyclopropylmethoxymethyl)-8-(5-fluoropyrimidin-2-yl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone.
What is the SMILES notation for 1-[4-(cyclopropylmethoxymethyl)-8-(5-fluoropyrimidin-2-yl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone?
The canonical SMILES for 1-[4-(cyclopropylmethoxymethyl)-8-(5-fluoropyrimidin-2-yl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone is CC(=O)N1CC(COCC2CC2)C2(CCN(c3ncc(F)cn3)CC2)C1.
What is the InChIKey of 1-[4-(cyclopropylmethoxymethyl)-8-(5-fluoropyrimidin-2-yl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone?
The InChIKey is CVAOKTKENFIOBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27FN4O2/c1-14(25)24-10-16(12-26-11-15-2-3-15)19(13-24)4-6-23(7-5-19)18-21-8-17(20)9-22-18/h8-9,15-16H,2-7,10-13H2,1H3.
What are the key properties of 1-[4-(cyclopropylmethoxymethyl)-8-(5-fluoropyrimidin-2-yl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone?
1-[4-(cyclopropylmethoxymethyl)-8-(5-fluoropyrimidin-2-yl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone has a molecular weight of 362.45 g/mol, XLogP of 2.11, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(cyclopropylmethoxymethyl)-8-(5-fluoropyrimidin-2-yl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone is sourced from PubChem (CID 133142677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).