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

C21H36N2O3 — CID 97135326

IUPAC(5S)-7-cyclohexyl-2-(6-methoxyhexanoyl)-2,7-diazaspiro[4.5]decan-6-one
SMILESCOCCCCCC(=O)N1CC[C@@]2(CCCN(C3CCCCC3)C2=O)C1
InChIInChI=1S/C21H36N2O3/c1-26-16-7-3-6-11-19(24)22-15-13-21(17-22)12-8-14-23(20(21)25)18-9-4-2-5-10-18/h18H,2-17H2,1H3/t21-/m0/s1
InChIKeyYJVMYCWYJGQWAL-NRFANRHFSA-N
MW364.53 g/mol
LogP3.37
Rot. Bonds7

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

(5S)-7-cyclohexyl-2-(6-methoxyhexanoyl)-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 97135326) has the molecular formula C21H36N2O3 and a molecular weight of 364.53 g/mol. Its IUPAC name is (5S)-7-cyclohexyl-2-(6-methoxyhexanoyl)-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name(5S)-7-cyclohexyl-2-(6-methoxyhexanoyl)-2,7-diazaspiro[4.5]decan-6-one
PubChem CID97135326
Molecular FormulaC21H36N2O3
Molecular Weight364.53 g/mol
Exact Mass364.27
IUPAC Name(5S)-7-cyclohexyl-2-(6-methoxyhexanoyl)-2,7-diazaspiro[4.5]decan-6-one
SMILESCOCCCCCC(=O)N1CC[C@@]2(CCCN(C3CCCCC3)C2=O)C1
InChIInChI=1S/C21H36N2O3/c1-26-16-7-3-6-11-19(24)22-15-13-21(17-22)12-8-14-23(20(21)25)18-9-4-2-5-10-18/h18H,2-17H2,1H3/t21-/m0/s1
InChIKeyYJVMYCWYJGQWAL-NRFANRHFSA-N
XLogP3.37
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.53
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

7-cyclopentyl-2-[2-[2-methoxyethyl(methyl)amino]acetyl]-2,7-diazaspiro[4.5]decan-6-one
CID 72892281
7-cyclohexyl-2-[4-(1H-pyrazol-4-yl)butanoyl]-2,7-diazaspiro[4.5]decan-6-one
CID 72898128
(5S)-2-[2-(2-methoxyethoxy)acetyl]-7-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one
CID 97147920
7-cyclohexyl-2-(4-imidazol-1-ylbutanoyl)-2,7-diazaspiro[4.5]decan-6-one
CID 72918966
(5S)-7-cyclohexyl-2-(4-imidazol-1-ylbutanoyl)-2,7-diazaspiro[4.5]decan-6-one
CID 97146419
(5S)-7-cyclohexyl-N,N-dimethyl-6-oxo-2,7-diazaspiro[4.5]decane-2-carboxamide
CID 97124799
(5R)-7-cyclopentyl-2-[2-(2-oxoazepan-1-yl)acetyl]-2,7-diazaspiro[4.5]decan-6-one
CID 97117547
7-cyclohexyl-2-(4-methylpiperazine-1-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
CID 72865312
3-[2-[(5S)-7-cyclopentyl-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-2-oxoethyl]imidazolidine-2,4-dione
CID 97139712
3-[2-[(5R)-7-cyclopentyl-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-2-oxoethyl]-1,3-oxazolidin-2-one
CID 97122102
(5S)-7-cyclohexyl-2-(2-pyridin-2-ylacetyl)-2,7-diazaspiro[4.5]decan-6-one
CID 97120073
(5S)-7-cyclohexyl-2-(oxane-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
CID 97120893

Frequently Asked Questions

What is the IUPAC name of (5S)-7-cyclohexyl-2-(6-methoxyhexanoyl)-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of (5S)-7-cyclohexyl-2-(6-methoxyhexanoyl)-2,7-diazaspiro[4.5]decan-6-one (CID 97135326) is (5S)-7-cyclohexyl-2-(6-methoxyhexanoyl)-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for (5S)-7-cyclohexyl-2-(6-methoxyhexanoyl)-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for (5S)-7-cyclohexyl-2-(6-methoxyhexanoyl)-2,7-diazaspiro[4.5]decan-6-one is COCCCCCC(=O)N1CC[C@@]2(CCCN(C3CCCCC3)C2=O)C1.
What is the InChIKey of (5S)-7-cyclohexyl-2-(6-methoxyhexanoyl)-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is YJVMYCWYJGQWAL-NRFANRHFSA-N. The full InChI is InChI=1S/C21H36N2O3/c1-26-16-7-3-6-11-19(24)22-15-13-21(17-22)12-8-14-23(20(21)25)18-9-4-2-5-10-18/h18H,2-17H2,1H3/t21-/m0/s1.
What are the key properties of (5S)-7-cyclohexyl-2-(6-methoxyhexanoyl)-2,7-diazaspiro[4.5]decan-6-one?
(5S)-7-cyclohexyl-2-(6-methoxyhexanoyl)-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 364.53 g/mol, XLogP of 3.37, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-7-cyclohexyl-2-(6-methoxyhexanoyl)-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 97135326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).