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

C16H28N2O2 — CID 97369142

IUPAC(5S,10R)-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+/m1/s1
InChIKeyLDHJBXPZPOBIDR-ZBFHGGJFSA-N
MW280.41 g/mol
LogP1.94
Rot. Bonds3

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

(5S,10R)-10-ethyl-9-(oxan-4-ylmethyl)-1,9-diazaspiro[4.5]decan-2-one (PubChem CID 97369142) has the molecular formula C16H28N2O2 and a molecular weight of 280.41 g/mol. Its IUPAC name is (5S,10R)-10-ethyl-9-(oxan-4-ylmethyl)-1,9-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name(5S,10R)-10-ethyl-9-(oxan-4-ylmethyl)-1,9-diazaspiro[4.5]decan-2-one
PubChem CID97369142
Molecular FormulaC16H28N2O2
Molecular Weight280.41 g/mol
Exact Mass280.22
IUPAC Name(5S,10R)-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+/m1/s1
InChIKeyLDHJBXPZPOBIDR-ZBFHGGJFSA-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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Related Compounds

(5S,10S)-10-ethyl-9-(oxan-4-ylmethyl)-1,9-diazaspiro[4.5]decan-2-one
CID 97375546
(5S,10R)-10-ethyl-9-(oxan-4-ylmethyl)-1,9-diazaspiro[4.5]decan-2-one;2,2,2-trifluoroacetic acid
CID 127022025
(5S,10S)-10-ethyl-9-(oxan-4-ylmethyl)-1,9-diazaspiro[4.5]decan-2-one;2,2,2-trifluoroacetic acid
CID 127022206
N-[(1-ethyl-2-pyrrolidinyl)methyl]-3-[1-(tetrahydro-2H-pyran-4-ylcarbonyl)-4-piperidinyl]propanamide
CID 45220917
N-[(1-ethyl-2-pyrrolidinyl)methyl]-3-[1-(tetrahydro-2H-pyran-4-yl)-4-piperidinyl]propanamide
CID 45238288
N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-3-[1-(oxan-4-yl)piperidin-4-yl]propanamide
CID 42245229
N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-3-[1-(oxan-4-yl)piperidin-4-yl]propanamide
CID 42245231
3-Methyl-1-(oxan-4-ylmethyl)-1,4-diazaspiro[5.5]undecane-2,5-dione
CID 64872542
8-Ethyl-9-(oxan-4-ylmethyl)-6,9-diazaspiro[4.5]decane-7,10-dione
CID 64886460
3-Methyl-4-(oxan-4-ylmethyl)-1,4-diazaspiro[5.5]undecane-2,5-dione
CID 64886858
3-Ethyl-4-(oxolan-3-ylmethyl)-1,4-diazaspiro[5.5]undecane-2,5-dione
CID 64887436
3-Ethyl-1-(oxolan-3-ylmethyl)-1,4-diazaspiro[5.5]undecane-2,5-dione
CID 64901492

Frequently Asked Questions

What is the IUPAC name of (5S,10R)-10-ethyl-9-(oxan-4-ylmethyl)-1,9-diazaspiro[4.5]decan-2-one?
The IUPAC name of (5S,10R)-10-ethyl-9-(oxan-4-ylmethyl)-1,9-diazaspiro[4.5]decan-2-one (CID 97369142) is (5S,10R)-10-ethyl-9-(oxan-4-ylmethyl)-1,9-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for (5S,10R)-10-ethyl-9-(oxan-4-ylmethyl)-1,9-diazaspiro[4.5]decan-2-one?
The canonical SMILES for (5S,10R)-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,10R)-10-ethyl-9-(oxan-4-ylmethyl)-1,9-diazaspiro[4.5]decan-2-one?
The InChIKey is LDHJBXPZPOBIDR-ZBFHGGJFSA-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+/m1/s1.
What are the key properties of (5S,10R)-10-ethyl-9-(oxan-4-ylmethyl)-1,9-diazaspiro[4.5]decan-2-one?
(5S,10R)-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,10R)-10-ethyl-9-(oxan-4-ylmethyl)-1,9-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 97369142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).