5-pentyl-1-oxa-3,9-diazaspiro[5.5]undecan-2-one

C13H24N2O2 — CID 154260442

IUPAC5-pentyl-1-oxa-3,9-diazaspiro[5.5]undecan-2-one
SMILESCCCCCC1CNC(=O)OC12CCNCC2
InChIInChI=1S/C13H24N2O2/c1-2-3-4-5-11-10-15-12(16)17-13(11)6-8-14-9-7-13/h11,14H,2-10H2,1H3,(H,15,16)
InChIKeyMJIXWVORMHZAPQ-UHFFFAOYSA-N
MW240.35 g/mol
LogP2.04
Rot. Bonds4

About 5-pentyl-1-oxa-3,9-diazaspiro[5.5]undecan-2-one

5-pentyl-1-oxa-3,9-diazaspiro[5.5]undecan-2-one (PubChem CID 154260442) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 5-pentyl-1-oxa-3,9-diazaspiro[5.5]undecan-2-one.

Molecular Properties

Compound Name5-pentyl-1-oxa-3,9-diazaspiro[5.5]undecan-2-one
PubChem CID154260442
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name5-pentyl-1-oxa-3,9-diazaspiro[5.5]undecan-2-one
SMILESCCCCCC1CNC(=O)OC12CCNCC2
InChIInChI=1S/C13H24N2O2/c1-2-3-4-5-11-10-15-12(16)17-13(11)6-8-14-9-7-13/h11,14H,2-10H2,1H3,(H,15,16)
InChIKeyMJIXWVORMHZAPQ-UHFFFAOYSA-N
XLogP2.04
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-pentyl-1-oxa-3,9-diazaspiro[5.5]undecan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Tert-butyl 2,4'-bipiperidine-1'-carboxylate
CID 71305776
Tert-butyl 4-(piperidin-3-yl)piperidine-1-carboxylate
CID 82379479
Tert-butyl 3-(piperidin-4-yl)piperidine-1-carboxylate
CID 82379481
tert-butyl N-({9-azabicyclo[3.3.1]nonan-3-yl}methyl)carbamate
CID 45792692
Tert-butyl 3-(piperidin-3-yl)piperidine-1-carboxylate
CID 71305775
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 4-[3-(4-piperidinyl)propyl]-1-piperidinecarboxylate
CID 57421831
Tert-butyl 4-(2-(piperidin-4-yl)ethyl)piperidine-1-carboxylate
CID 11652305
Tert-butyl 3-(4-fluoropiperidin-3-yl)piperidine-1-carboxylate
CID 115052346
Tert-butyl 3-[3-(piperidin-3-yl)propyl]piperidine-1-carboxylate
CID 155822164
Tert-butyl 3-[3-(piperidin-4-yl)propyl]piperidine-1-carboxylate
CID 155822294

Frequently Asked Questions

What is the IUPAC name of 5-pentyl-1-oxa-3,9-diazaspiro[5.5]undecan-2-one?
The IUPAC name of 5-pentyl-1-oxa-3,9-diazaspiro[5.5]undecan-2-one (CID 154260442) is 5-pentyl-1-oxa-3,9-diazaspiro[5.5]undecan-2-one.
What is the SMILES notation for 5-pentyl-1-oxa-3,9-diazaspiro[5.5]undecan-2-one?
The canonical SMILES for 5-pentyl-1-oxa-3,9-diazaspiro[5.5]undecan-2-one is CCCCCC1CNC(=O)OC12CCNCC2.
What is the InChIKey of 5-pentyl-1-oxa-3,9-diazaspiro[5.5]undecan-2-one?
The InChIKey is MJIXWVORMHZAPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-2-3-4-5-11-10-15-12(16)17-13(11)6-8-14-9-7-13/h11,14H,2-10H2,1H3,(H,15,16).
What are the key properties of 5-pentyl-1-oxa-3,9-diazaspiro[5.5]undecan-2-one?
5-pentyl-1-oxa-3,9-diazaspiro[5.5]undecan-2-one has a molecular weight of 240.35 g/mol, XLogP of 2.04, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pentyl-1-oxa-3,9-diazaspiro[5.5]undecan-2-one is sourced from PubChem (CID 154260442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).