(5S)-7-cyclopentyl-2-(pyrimidin-2-ylmethyl)-2,7-diazaspiro[4.5]decan-6-one

C18H26N4O — CID 97132436

IUPAC(5S)-7-cyclopentyl-2-(pyrimidin-2-ylmethyl)-2,7-diazaspiro[4.5]decan-6-one
SMILESO=C1N(C2CCCC2)CCC[C@@]12CCN(Cc1ncccn1)C2
InChIInChI=1S/C18H26N4O/c23-17-18(7-3-11-22(17)15-5-1-2-6-15)8-12-21(14-18)13-16-19-9-4-10-20-16/h4,9-10,15H,1-3,5-8,11-14H2/t18-/m0/s1
InChIKeyXMLWHCVZEOGGRH-SFHVURJKSA-N
MW314.43 g/mol
LogP2.23
Rot. Bonds3

About (5S)-7-cyclopentyl-2-(pyrimidin-2-ylmethyl)-2,7-diazaspiro[4.5]decan-6-one

(5S)-7-cyclopentyl-2-(pyrimidin-2-ylmethyl)-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 97132436) has the molecular formula C18H26N4O and a molecular weight of 314.43 g/mol. Its IUPAC name is (5S)-7-cyclopentyl-2-(pyrimidin-2-ylmethyl)-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name(5S)-7-cyclopentyl-2-(pyrimidin-2-ylmethyl)-2,7-diazaspiro[4.5]decan-6-one
PubChem CID97132436
Molecular FormulaC18H26N4O
Molecular Weight314.43 g/mol
Exact Mass314.21
IUPAC Name(5S)-7-cyclopentyl-2-(pyrimidin-2-ylmethyl)-2,7-diazaspiro[4.5]decan-6-one
SMILESO=C1N(C2CCCC2)CCC[C@@]12CCN(Cc1ncccn1)C2
InChIInChI=1S/C18H26N4O/c23-17-18(7-3-11-22(17)15-5-1-2-6-15)8-12-21(14-18)13-16-19-9-4-10-20-16/h4,9-10,15H,1-3,5-8,11-14H2/t18-/m0/s1
InChIKeyXMLWHCVZEOGGRH-SFHVURJKSA-N
XLogP2.23
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5S)-7-cyclopentyl-2-(pyrimidin-2-ylmethyl)-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of (5S)-7-cyclopentyl-2-(pyrimidin-2-ylmethyl)-2,7-diazaspiro[4.5]decan-6-one (CID 97132436) is (5S)-7-cyclopentyl-2-(pyrimidin-2-ylmethyl)-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for (5S)-7-cyclopentyl-2-(pyrimidin-2-ylmethyl)-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for (5S)-7-cyclopentyl-2-(pyrimidin-2-ylmethyl)-2,7-diazaspiro[4.5]decan-6-one is O=C1N(C2CCCC2)CCC[C@@]12CCN(Cc1ncccn1)C2.
What is the InChIKey of (5S)-7-cyclopentyl-2-(pyrimidin-2-ylmethyl)-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is XMLWHCVZEOGGRH-SFHVURJKSA-N. The full InChI is InChI=1S/C18H26N4O/c23-17-18(7-3-11-22(17)15-5-1-2-6-15)8-12-21(14-18)13-16-19-9-4-10-20-16/h4,9-10,15H,1-3,5-8,11-14H2/t18-/m0/s1.
What are the key properties of (5S)-7-cyclopentyl-2-(pyrimidin-2-ylmethyl)-2,7-diazaspiro[4.5]decan-6-one?
(5S)-7-cyclopentyl-2-(pyrimidin-2-ylmethyl)-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 314.43 g/mol, XLogP of 2.23, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-7-cyclopentyl-2-(pyrimidin-2-ylmethyl)-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 97132436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).