(5S)-7-cyclohexyl-2-(oxane-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one

C20H32N2O3 — CID 97120893

IUPAC(5S)-7-cyclohexyl-2-(oxane-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
SMILESO=C(C1CCOCC1)N1CC[C@@]2(CCCN(C3CCCCC3)C2=O)C1
InChIInChI=1S/C20H32N2O3/c23-18(16-7-13-25-14-8-16)21-12-10-20(15-21)9-4-11-22(19(20)24)17-5-2-1-3-6-17/h16-17H,1-15H2/t20-/m0/s1
InChIKeyAUQGZHNZZHGBSP-FQEVSTJZSA-N
MW348.49 g/mol
LogP2.59
Rot. Bonds2

About (5S)-7-cyclohexyl-2-(oxane-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one

(5S)-7-cyclohexyl-2-(oxane-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 97120893) has the molecular formula C20H32N2O3 and a molecular weight of 348.49 g/mol. Its IUPAC name is (5S)-7-cyclohexyl-2-(oxane-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name(5S)-7-cyclohexyl-2-(oxane-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
PubChem CID97120893
Molecular FormulaC20H32N2O3
Molecular Weight348.49 g/mol
Exact Mass348.24
IUPAC Name(5S)-7-cyclohexyl-2-(oxane-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
SMILESO=C(C1CCOCC1)N1CC[C@@]2(CCCN(C3CCCCC3)C2=O)C1
InChIInChI=1S/C20H32N2O3/c23-18(16-7-13-25-14-8-16)21-12-10-20(15-21)9-4-11-22(19(20)24)17-5-2-1-3-6-17/h16-17H,1-15H2/t20-/m0/s1
InChIKeyAUQGZHNZZHGBSP-FQEVSTJZSA-N
XLogP2.59
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.49
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (5S)-7-cyclohexyl-2-(oxane-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one with MolForge

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Related Compounds

(5S)-7-cyclohexyl-N,N-dimethyl-6-oxo-2,7-diazaspiro[4.5]decane-2-carboxamide
CID 97124799
(5R)-7-(2,2-dimethylpropyl)-2-(oxane-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
CID 25384072
7-cyclohexyl-2-(4-methylpiperazine-1-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
CID 72865312
(5R)-7-(oxan-4-yl)-2-(2-phenylacetyl)-2,7-diazaspiro[4.5]decan-6-one
CID 97109908
3-[2-[(5R)-7-cyclopentyl-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-2-oxoethyl]-1,3-oxazolidin-2-one
CID 97122102
(5R)-7-cyclopentyl-2-[2-(2-oxoazepan-1-yl)acetyl]-2,7-diazaspiro[4.5]decan-6-one
CID 97117547
5-[(5R)-7-(oxan-4-yl)-6-oxo-2,7-diazaspiro[4.5]decane-2-carbonyl]-1,2-oxazol-3-one
CID 97110294
2-(4-methyl-1,2,5-oxadiazole-3-carbonyl)-7-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one
CID 72870949
(5S)-2-[2-(2-methoxyethoxy)acetyl]-7-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one
CID 97147920
2-[2-(1H-imidazol-5-yl)acetyl]-7-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one
CID 72844359
(5R)-7-cyclohexyl-2-(1-methylpyrazole-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
CID 97156474
2-(5-methyl-1,2-oxazole-3-carbonyl)-7-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one
CID 72913600

Frequently Asked Questions

What is the IUPAC name of (5S)-7-cyclohexyl-2-(oxane-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of (5S)-7-cyclohexyl-2-(oxane-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one (CID 97120893) is (5S)-7-cyclohexyl-2-(oxane-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for (5S)-7-cyclohexyl-2-(oxane-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for (5S)-7-cyclohexyl-2-(oxane-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one is O=C(C1CCOCC1)N1CC[C@@]2(CCCN(C3CCCCC3)C2=O)C1.
What is the InChIKey of (5S)-7-cyclohexyl-2-(oxane-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is AUQGZHNZZHGBSP-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H32N2O3/c23-18(16-7-13-25-14-8-16)21-12-10-20(15-21)9-4-11-22(19(20)24)17-5-2-1-3-6-17/h16-17H,1-15H2/t20-/m0/s1.
What are the key properties of (5S)-7-cyclohexyl-2-(oxane-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one?
(5S)-7-cyclohexyl-2-(oxane-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 348.49 g/mol, XLogP of 2.59, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-7-cyclohexyl-2-(oxane-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 97120893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).