4-hexyl-3-methyl-1-oxa-3,9-diazaspiro[5.5]undecan-2-one

C15H28N2O2 — CID 141120757

IUPAC4-hexyl-3-methyl-1-oxa-3,9-diazaspiro[5.5]undecan-2-one
SMILESCCCCCCC1CC2(CCNCC2)OC(=O)N1C
InChIInChI=1S/C15H28N2O2/c1-3-4-5-6-7-13-12-15(8-10-16-11-9-15)19-14(18)17(13)2/h13,16H,3-12H2,1-2H3
InChIKeyBLKPSEYZESEMLS-UHFFFAOYSA-N
MW268.40 g/mol
LogP2.92
Rot. Bonds5

About 4-hexyl-3-methyl-1-oxa-3,9-diazaspiro[5.5]undecan-2-one

4-hexyl-3-methyl-1-oxa-3,9-diazaspiro[5.5]undecan-2-one (PubChem CID 141120757) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 4-hexyl-3-methyl-1-oxa-3,9-diazaspiro[5.5]undecan-2-one.

Molecular Properties

Compound Name4-hexyl-3-methyl-1-oxa-3,9-diazaspiro[5.5]undecan-2-one
PubChem CID141120757
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Name4-hexyl-3-methyl-1-oxa-3,9-diazaspiro[5.5]undecan-2-one
SMILESCCCCCCC1CC2(CCNCC2)OC(=O)N1C
InChIInChI=1S/C15H28N2O2/c1-3-4-5-6-7-13-12-15(8-10-16-11-9-15)19-14(18)17(13)2/h13,16H,3-12H2,1-2H3
InChIKeyBLKPSEYZESEMLS-UHFFFAOYSA-N
XLogP2.92
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Tert-butyl 2-(piperidin-3-yl)piperidine-1-carboxylate
CID 19691271
tert-Butyl 1,8-diazaspiro[5.5]undecane-1-carboxylate
CID 24740465
tert-Butyl 1,9-diazaspiro[5.5]undecane-9-carboxylate
CID 25216345
1,8-Diazaspiro[5.5]undecane-8-carboxylic acid tert-butyl ester
CID 56962139
Tert-butyl 3-(piperidin-3-yl)piperidine-1-carboxylate
CID 71305775
Tert-butyl 2,4'-bipiperidine-1'-carboxylate
CID 71305776
tert-butyl N-({9-azabicyclo[3.3.1]nonan-3-yl}methyl)carbamate
CID 45792692
Tert-butyl 3-(2-(piperidin-4-yl)ethyl)piperidine-1-carboxylate
CID 82667702
Tert-butyl 3-[2-(piperidin-3-yl)ethyl]piperidine-1-carboxylate
CID 82667703
tert-butyl N-(1-oxa-9-azaspiro(5.5)undecan-4-yl)carbamate hydrochloride
CID 136575551
Tert-butyl 4-[3-(4-piperidinyl)propyl]-1-piperidinecarboxylate
CID 57421831
Tert-butyl 4-(2-(piperidin-4-yl)ethyl)piperidine-1-carboxylate
CID 11652305

Frequently Asked Questions

What is the IUPAC name of 4-hexyl-3-methyl-1-oxa-3,9-diazaspiro[5.5]undecan-2-one?
The IUPAC name of 4-hexyl-3-methyl-1-oxa-3,9-diazaspiro[5.5]undecan-2-one (CID 141120757) is 4-hexyl-3-methyl-1-oxa-3,9-diazaspiro[5.5]undecan-2-one.
What is the SMILES notation for 4-hexyl-3-methyl-1-oxa-3,9-diazaspiro[5.5]undecan-2-one?
The canonical SMILES for 4-hexyl-3-methyl-1-oxa-3,9-diazaspiro[5.5]undecan-2-one is CCCCCCC1CC2(CCNCC2)OC(=O)N1C.
What is the InChIKey of 4-hexyl-3-methyl-1-oxa-3,9-diazaspiro[5.5]undecan-2-one?
The InChIKey is BLKPSEYZESEMLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-3-4-5-6-7-13-12-15(8-10-16-11-9-15)19-14(18)17(13)2/h13,16H,3-12H2,1-2H3.
What are the key properties of 4-hexyl-3-methyl-1-oxa-3,9-diazaspiro[5.5]undecan-2-one?
4-hexyl-3-methyl-1-oxa-3,9-diazaspiro[5.5]undecan-2-one has a molecular weight of 268.40 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hexyl-3-methyl-1-oxa-3,9-diazaspiro[5.5]undecan-2-one is sourced from PubChem (CID 141120757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).