1-[(6S)-4-(oxan-4-yl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-8-yl]ethanone

C15H26N2O4 — CID 97495171

IUPAC1-[(6S)-4-(oxan-4-yl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-8-yl]ethanone
SMILESCC(=O)N1CCOC[C@@]2(C1)CN(C1CCOCC1)CCO2
InChIInChI=1S/C15H26N2O4/c1-13(18)16-4-8-20-12-15(10-16)11-17(5-9-21-15)14-2-6-19-7-3-14/h14H,2-12H2,1H3/t15-/m1/s1
InChIKeyWLMIMSCFGLZJCQ-OAHLLOKOSA-N
MW298.38 g/mol
LogP0.12
Rot. Bonds1

About 1-[(6S)-4-(oxan-4-yl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-8-yl]ethanone

1-[(6S)-4-(oxan-4-yl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-8-yl]ethanone (PubChem CID 97495171) has the molecular formula C15H26N2O4 and a molecular weight of 298.38 g/mol. Its IUPAC name is 1-[(6S)-4-(oxan-4-yl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-8-yl]ethanone.

Molecular Properties

Compound Name1-[(6S)-4-(oxan-4-yl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-8-yl]ethanone
PubChem CID97495171
Molecular FormulaC15H26N2O4
Molecular Weight298.38 g/mol
Exact Mass298.19
IUPAC Name1-[(6S)-4-(oxan-4-yl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-8-yl]ethanone
SMILESCC(=O)N1CCOC[C@@]2(C1)CN(C1CCOCC1)CCO2
InChIInChI=1S/C15H26N2O4/c1-13(18)16-4-8-20-12-15(10-16)11-17(5-9-21-15)14-2-6-19-7-3-14/h14H,2-12H2,1H3/t15-/m1/s1
InChIKeyWLMIMSCFGLZJCQ-OAHLLOKOSA-N
XLogP0.12
TPSA51.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 50.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(6S)-4-(oxan-4-yl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-8-yl]ethanone?
The IUPAC name of 1-[(6S)-4-(oxan-4-yl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-8-yl]ethanone (CID 97495171) is 1-[(6S)-4-(oxan-4-yl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-8-yl]ethanone.
What is the SMILES notation for 1-[(6S)-4-(oxan-4-yl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-8-yl]ethanone?
The canonical SMILES for 1-[(6S)-4-(oxan-4-yl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-8-yl]ethanone is CC(=O)N1CCOC[C@@]2(C1)CN(C1CCOCC1)CCO2.
What is the InChIKey of 1-[(6S)-4-(oxan-4-yl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-8-yl]ethanone?
The InChIKey is WLMIMSCFGLZJCQ-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H26N2O4/c1-13(18)16-4-8-20-12-15(10-16)11-17(5-9-21-15)14-2-6-19-7-3-14/h14H,2-12H2,1H3/t15-/m1/s1.
What are the key properties of 1-[(6S)-4-(oxan-4-yl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-8-yl]ethanone?
1-[(6S)-4-(oxan-4-yl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-8-yl]ethanone has a molecular weight of 298.38 g/mol, XLogP of 0.12, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6S)-4-(oxan-4-yl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-8-yl]ethanone is sourced from PubChem (CID 97495171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).