1-[(6S)-8-[[(3S)-oxolan-3-yl]methyl]-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]ethanone

C15H26N2O3 — CID 124522552

IUPAC1-[(6S)-8-[[(3S)-oxolan-3-yl]methyl]-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]ethanone
SMILESCC(=O)N1CCO[C@]2(CCCN(C[C@@H]3CCOC3)C2)C1
InChIInChI=1S/C15H26N2O3/c1-13(18)17-6-8-20-15(12-17)4-2-5-16(11-15)9-14-3-7-19-10-14/h14H,2-12H2,1H3/t14-,15-/m0/s1
InChIKeyUYVWESKNGUPQHN-GJZGRUSLSA-N
MW282.38 g/mol
LogP0.74
Rot. Bonds2

About 1-[(6S)-8-[[(3S)-oxolan-3-yl]methyl]-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]ethanone

1-[(6S)-8-[[(3S)-oxolan-3-yl]methyl]-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]ethanone (PubChem CID 124522552) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is 1-[(6S)-8-[[(3S)-oxolan-3-yl]methyl]-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]ethanone.

Molecular Properties

Compound Name1-[(6S)-8-[[(3S)-oxolan-3-yl]methyl]-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]ethanone
PubChem CID124522552
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Name1-[(6S)-8-[[(3S)-oxolan-3-yl]methyl]-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]ethanone
SMILESCC(=O)N1CCO[C@]2(CCCN(C[C@@H]3CCOC3)C2)C1
InChIInChI=1S/C15H26N2O3/c1-13(18)17-6-8-20-15(12-17)4-2-5-16(11-15)9-14-3-7-19-10-14/h14H,2-12H2,1H3/t14-,15-/m0/s1
InChIKeyUYVWESKNGUPQHN-GJZGRUSLSA-N
XLogP0.74
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 50.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-Methyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)ethanone
CID 20622548
2-Methyl-1-[4-(4-methylpentyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]propan-1-one
CID 155455485
1-(4-Butyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)-2-methylpropan-1-one
CID 155582475
Ethane;1-[4-(4-methylpentyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]ethanone
CID 155707509
1-[4-(4-Methylpentyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]ethanone
CID 155707510
1-[4-(4-Methylpentyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]propan-1-one
CID 155739856
1-(4-Butyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)ethanone
CID 156860393
Ethane;1-[4-(4-methylpentyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]ethanone
CID 167520300
1-(4-Methyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)propan-1-one;propane
CID 168190419
1-(4-Ethyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)-2-methylpropan-1-one
CID 168190475
Ethane;2-methyl-1-[4-(4-methylpentyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]propan-1-one;propane
CID 169214998
Ethane;1-[4-(4-methylpentyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]ethanone
CID 171540064

Frequently Asked Questions

What is the IUPAC name of 1-[(6S)-8-[[(3S)-oxolan-3-yl]methyl]-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]ethanone?
The IUPAC name of 1-[(6S)-8-[[(3S)-oxolan-3-yl]methyl]-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]ethanone (CID 124522552) is 1-[(6S)-8-[[(3S)-oxolan-3-yl]methyl]-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]ethanone.
What is the SMILES notation for 1-[(6S)-8-[[(3S)-oxolan-3-yl]methyl]-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]ethanone?
The canonical SMILES for 1-[(6S)-8-[[(3S)-oxolan-3-yl]methyl]-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]ethanone is CC(=O)N1CCO[C@]2(CCCN(C[C@@H]3CCOC3)C2)C1.
What is the InChIKey of 1-[(6S)-8-[[(3S)-oxolan-3-yl]methyl]-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]ethanone?
The InChIKey is UYVWESKNGUPQHN-GJZGRUSLSA-N. The full InChI is InChI=1S/C15H26N2O3/c1-13(18)17-6-8-20-15(12-17)4-2-5-16(11-15)9-14-3-7-19-10-14/h14H,2-12H2,1H3/t14-,15-/m0/s1.
What are the key properties of 1-[(6S)-8-[[(3S)-oxolan-3-yl]methyl]-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]ethanone?
1-[(6S)-8-[[(3S)-oxolan-3-yl]methyl]-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]ethanone has a molecular weight of 282.38 g/mol, XLogP of 0.74, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6S)-8-[[(3S)-oxolan-3-yl]methyl]-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]ethanone is sourced from PubChem (CID 124522552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).