cyclopentyl(1,12-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl)methanone

C14H24N2O3 — CID 172884474

IUPACcyclopentyl(1,12-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl)methanone
SMILESO=C(C1CCCC1)N1CCOC2(CNCCCO2)C1
InChIInChI=1S/C14H24N2O3/c17-13(12-4-1-2-5-12)16-7-9-19-14(11-16)10-15-6-3-8-18-14/h12,15H,1-11H2
InChIKeyIRJIQUREQNNSCR-UHFFFAOYSA-N
MW268.36 g/mol
LogP0.74
Rot. Bonds1

About cyclopentyl(1,12-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl)methanone

cyclopentyl(1,12-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl)methanone (PubChem CID 172884474) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is cyclopentyl(1,12-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl)methanone.

Molecular Properties

Compound Namecyclopentyl(1,12-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl)methanone
PubChem CID172884474
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC Namecyclopentyl(1,12-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl)methanone
SMILESO=C(C1CCCC1)N1CCOC2(CNCCCO2)C1
InChIInChI=1S/C14H24N2O3/c17-13(12-4-1-2-5-12)16-7-9-19-14(11-16)10-15-6-3-8-18-14/h12,15H,1-11H2
InChIKeyIRJIQUREQNNSCR-UHFFFAOYSA-N
XLogP0.74
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of cyclopentyl(1,12-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl)methanone?
The IUPAC name of cyclopentyl(1,12-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl)methanone (CID 172884474) is cyclopentyl(1,12-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl)methanone.
What is the SMILES notation for cyclopentyl(1,12-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl)methanone?
The canonical SMILES for cyclopentyl(1,12-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl)methanone is O=C(C1CCCC1)N1CCOC2(CNCCCO2)C1.
What is the InChIKey of cyclopentyl(1,12-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl)methanone?
The InChIKey is IRJIQUREQNNSCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3/c17-13(12-4-1-2-5-12)16-7-9-19-14(11-16)10-15-6-3-8-18-14/h12,15H,1-11H2.
What are the key properties of cyclopentyl(1,12-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl)methanone?
cyclopentyl(1,12-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl)methanone has a molecular weight of 268.36 g/mol, XLogP of 0.74, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl(1,12-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl)methanone is sourced from PubChem (CID 172884474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).