2-ethoxy-1-[(5R)-9-(5-fluoropyrimidin-2-yl)-2,9-diazaspiro[4.5]decan-2-yl]ethanone

C16H23FN4O2 — CID 97450302

IUPAC2-ethoxy-1-[(5R)-9-(5-fluoropyrimidin-2-yl)-2,9-diazaspiro[4.5]decan-2-yl]ethanone
SMILESCCOCC(=O)N1CC[C@@]2(CCCN(c3ncc(F)cn3)C2)C1
InChIInChI=1S/C16H23FN4O2/c1-2-23-10-14(22)20-7-5-16(11-20)4-3-6-21(12-16)15-18-8-13(17)9-19-15/h8-9H,2-7,10-12H2,1H3/t16-/m0/s1
InChIKeyPEEGBZCVZHOEAO-INIZCTEOSA-N
MW322.38 g/mol
LogP1.47
Rot. Bonds4

About 2-ethoxy-1-[(5R)-9-(5-fluoropyrimidin-2-yl)-2,9-diazaspiro[4.5]decan-2-yl]ethanone

2-ethoxy-1-[(5R)-9-(5-fluoropyrimidin-2-yl)-2,9-diazaspiro[4.5]decan-2-yl]ethanone (PubChem CID 97450302) has the molecular formula C16H23FN4O2 and a molecular weight of 322.38 g/mol. Its IUPAC name is 2-ethoxy-1-[(5R)-9-(5-fluoropyrimidin-2-yl)-2,9-diazaspiro[4.5]decan-2-yl]ethanone.

Molecular Properties

Compound Name2-ethoxy-1-[(5R)-9-(5-fluoropyrimidin-2-yl)-2,9-diazaspiro[4.5]decan-2-yl]ethanone
PubChem CID97450302
Molecular FormulaC16H23FN4O2
Molecular Weight322.38 g/mol
Exact Mass322.18
IUPAC Name2-ethoxy-1-[(5R)-9-(5-fluoropyrimidin-2-yl)-2,9-diazaspiro[4.5]decan-2-yl]ethanone
SMILESCCOCC(=O)N1CC[C@@]2(CCCN(c3ncc(F)cn3)C2)C1
InChIInChI=1S/C16H23FN4O2/c1-2-23-10-14(22)20-7-5-16(11-20)4-3-6-21(12-16)15-18-8-13(17)9-19-15/h8-9H,2-7,10-12H2,1H3/t16-/m0/s1
InChIKeyPEEGBZCVZHOEAO-INIZCTEOSA-N
XLogP1.47
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.38
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-1-[(5R)-9-(5-fluoropyrimidin-2-yl)-2,9-diazaspiro[4.5]decan-2-yl]ethanone?
The IUPAC name of 2-ethoxy-1-[(5R)-9-(5-fluoropyrimidin-2-yl)-2,9-diazaspiro[4.5]decan-2-yl]ethanone (CID 97450302) is 2-ethoxy-1-[(5R)-9-(5-fluoropyrimidin-2-yl)-2,9-diazaspiro[4.5]decan-2-yl]ethanone.
What is the SMILES notation for 2-ethoxy-1-[(5R)-9-(5-fluoropyrimidin-2-yl)-2,9-diazaspiro[4.5]decan-2-yl]ethanone?
The canonical SMILES for 2-ethoxy-1-[(5R)-9-(5-fluoropyrimidin-2-yl)-2,9-diazaspiro[4.5]decan-2-yl]ethanone is CCOCC(=O)N1CC[C@@]2(CCCN(c3ncc(F)cn3)C2)C1.
What is the InChIKey of 2-ethoxy-1-[(5R)-9-(5-fluoropyrimidin-2-yl)-2,9-diazaspiro[4.5]decan-2-yl]ethanone?
The InChIKey is PEEGBZCVZHOEAO-INIZCTEOSA-N. The full InChI is InChI=1S/C16H23FN4O2/c1-2-23-10-14(22)20-7-5-16(11-20)4-3-6-21(12-16)15-18-8-13(17)9-19-15/h8-9H,2-7,10-12H2,1H3/t16-/m0/s1.
What are the key properties of 2-ethoxy-1-[(5R)-9-(5-fluoropyrimidin-2-yl)-2,9-diazaspiro[4.5]decan-2-yl]ethanone?
2-ethoxy-1-[(5R)-9-(5-fluoropyrimidin-2-yl)-2,9-diazaspiro[4.5]decan-2-yl]ethanone has a molecular weight of 322.38 g/mol, XLogP of 1.47, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-1-[(5R)-9-(5-fluoropyrimidin-2-yl)-2,9-diazaspiro[4.5]decan-2-yl]ethanone is sourced from PubChem (CID 97450302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).