(5S,10S)-10-ethyl-9-(oxan-4-ylmethyl)-1,9-diazaspiro[4.5]decan-2-one

C16H28N2O2 — CID 97375546

IUPAC(5S,10S)-10-ethyl-9-(oxan-4-ylmethyl)-1,9-diazaspiro[4.5]decan-2-one
SMILESCC[C@@H]1N(CC2CCOCC2)CCC[C@]12CCC(=O)N2
InChIInChI=1S/C16H28N2O2/c1-2-14-16(8-4-15(19)17-16)7-3-9-18(14)12-13-5-10-20-11-6-13/h13-14H,2-12H2,1H3,(H,17,19)/t14-,16-/m0/s1
InChIKeyLDHJBXPZPOBIDR-HOCLYGCPSA-N
MW280.41 g/mol
LogP1.94
Rot. Bonds3

About (5S,10S)-10-ethyl-9-(oxan-4-ylmethyl)-1,9-diazaspiro[4.5]decan-2-one

(5S,10S)-10-ethyl-9-(oxan-4-ylmethyl)-1,9-diazaspiro[4.5]decan-2-one (PubChem CID 97375546) has the molecular formula C16H28N2O2 and a molecular weight of 280.41 g/mol. Its IUPAC name is (5S,10S)-10-ethyl-9-(oxan-4-ylmethyl)-1,9-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name(5S,10S)-10-ethyl-9-(oxan-4-ylmethyl)-1,9-diazaspiro[4.5]decan-2-one
PubChem CID97375546
Molecular FormulaC16H28N2O2
Molecular Weight280.41 g/mol
Exact Mass280.22
IUPAC Name(5S,10S)-10-ethyl-9-(oxan-4-ylmethyl)-1,9-diazaspiro[4.5]decan-2-one
SMILESCC[C@@H]1N(CC2CCOCC2)CCC[C@]12CCC(=O)N2
InChIInChI=1S/C16H28N2O2/c1-2-14-16(8-4-15(19)17-16)7-3-9-18(14)12-13-5-10-20-11-6-13/h13-14H,2-12H2,1H3,(H,17,19)/t14-,16-/m0/s1
InChIKeyLDHJBXPZPOBIDR-HOCLYGCPSA-N
XLogP1.94
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5S,10S)-10-ethyl-9-(oxan-4-ylmethyl)-1,9-diazaspiro[4.5]decan-2-one?
The IUPAC name of (5S,10S)-10-ethyl-9-(oxan-4-ylmethyl)-1,9-diazaspiro[4.5]decan-2-one (CID 97375546) is (5S,10S)-10-ethyl-9-(oxan-4-ylmethyl)-1,9-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for (5S,10S)-10-ethyl-9-(oxan-4-ylmethyl)-1,9-diazaspiro[4.5]decan-2-one?
The canonical SMILES for (5S,10S)-10-ethyl-9-(oxan-4-ylmethyl)-1,9-diazaspiro[4.5]decan-2-one is CC[C@@H]1N(CC2CCOCC2)CCC[C@]12CCC(=O)N2.
What is the InChIKey of (5S,10S)-10-ethyl-9-(oxan-4-ylmethyl)-1,9-diazaspiro[4.5]decan-2-one?
The InChIKey is LDHJBXPZPOBIDR-HOCLYGCPSA-N. The full InChI is InChI=1S/C16H28N2O2/c1-2-14-16(8-4-15(19)17-16)7-3-9-18(14)12-13-5-10-20-11-6-13/h13-14H,2-12H2,1H3,(H,17,19)/t14-,16-/m0/s1.
What are the key properties of (5S,10S)-10-ethyl-9-(oxan-4-ylmethyl)-1,9-diazaspiro[4.5]decan-2-one?
(5S,10S)-10-ethyl-9-(oxan-4-ylmethyl)-1,9-diazaspiro[4.5]decan-2-one has a molecular weight of 280.41 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,10S)-10-ethyl-9-(oxan-4-ylmethyl)-1,9-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 97375546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).