2-(cyclopentylmethyl)-8-(5-fluoropyrimidin-2-yl)-2,8-diazaspiro[4.5]decan-1-one

C18H25FN4O — CID 97449801

IUPAC2-(cyclopentylmethyl)-8-(5-fluoropyrimidin-2-yl)-2,8-diazaspiro[4.5]decan-1-one
SMILESO=C1N(CC2CCCC2)CCC12CCN(c1ncc(F)cn1)CC2
InChIInChI=1S/C18H25FN4O/c19-15-11-20-17(21-12-15)22-8-5-18(6-9-22)7-10-23(16(18)24)13-14-3-1-2-4-14/h11-12,14H,1-10,13H2
InChIKeyRZIKMFFFWVTMAD-UHFFFAOYSA-N
MW332.42 g/mol
LogP2.62
Rot. Bonds3

About 2-(cyclopentylmethyl)-8-(5-fluoropyrimidin-2-yl)-2,8-diazaspiro[4.5]decan-1-one

2-(cyclopentylmethyl)-8-(5-fluoropyrimidin-2-yl)-2,8-diazaspiro[4.5]decan-1-one (PubChem CID 97449801) has the molecular formula C18H25FN4O and a molecular weight of 332.42 g/mol. Its IUPAC name is 2-(cyclopentylmethyl)-8-(5-fluoropyrimidin-2-yl)-2,8-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name2-(cyclopentylmethyl)-8-(5-fluoropyrimidin-2-yl)-2,8-diazaspiro[4.5]decan-1-one
PubChem CID97449801
Molecular FormulaC18H25FN4O
Molecular Weight332.42 g/mol
Exact Mass332.20
IUPAC Name2-(cyclopentylmethyl)-8-(5-fluoropyrimidin-2-yl)-2,8-diazaspiro[4.5]decan-1-one
SMILESO=C1N(CC2CCCC2)CCC12CCN(c1ncc(F)cn1)CC2
InChIInChI=1S/C18H25FN4O/c19-15-11-20-17(21-12-15)22-8-5-18(6-9-22)7-10-23(16(18)24)13-14-3-1-2-4-14/h11-12,14H,1-10,13H2
InChIKeyRZIKMFFFWVTMAD-UHFFFAOYSA-N
XLogP2.62
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.42
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopentylmethyl)-8-(5-fluoropyrimidin-2-yl)-2,8-diazaspiro[4.5]decan-1-one?
The IUPAC name of 2-(cyclopentylmethyl)-8-(5-fluoropyrimidin-2-yl)-2,8-diazaspiro[4.5]decan-1-one (CID 97449801) is 2-(cyclopentylmethyl)-8-(5-fluoropyrimidin-2-yl)-2,8-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for 2-(cyclopentylmethyl)-8-(5-fluoropyrimidin-2-yl)-2,8-diazaspiro[4.5]decan-1-one?
The canonical SMILES for 2-(cyclopentylmethyl)-8-(5-fluoropyrimidin-2-yl)-2,8-diazaspiro[4.5]decan-1-one is O=C1N(CC2CCCC2)CCC12CCN(c1ncc(F)cn1)CC2.
What is the InChIKey of 2-(cyclopentylmethyl)-8-(5-fluoropyrimidin-2-yl)-2,8-diazaspiro[4.5]decan-1-one?
The InChIKey is RZIKMFFFWVTMAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25FN4O/c19-15-11-20-17(21-12-15)22-8-5-18(6-9-22)7-10-23(16(18)24)13-14-3-1-2-4-14/h11-12,14H,1-10,13H2.
What are the key properties of 2-(cyclopentylmethyl)-8-(5-fluoropyrimidin-2-yl)-2,8-diazaspiro[4.5]decan-1-one?
2-(cyclopentylmethyl)-8-(5-fluoropyrimidin-2-yl)-2,8-diazaspiro[4.5]decan-1-one has a molecular weight of 332.42 g/mol, XLogP of 2.62, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopentylmethyl)-8-(5-fluoropyrimidin-2-yl)-2,8-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 97449801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).