1-[(6S)-8-(furan-2-carbonyl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]-3-hydroxypropan-1-one

C16H22N2O5 — CID 97396617

IUPAC1-[(6S)-8-(furan-2-carbonyl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]-3-hydroxypropan-1-one
SMILESO=C(CCO)N1CCO[C@@]2(CCCN(C(=O)c3ccco3)C2)C1
InChIInChI=1S/C16H22N2O5/c19-8-4-14(20)17-7-10-23-16(11-17)5-2-6-18(12-16)15(21)13-3-1-9-22-13/h1,3,9,19H,2,4-8,10-12H2/t16-/m0/s1
InChIKeySIOAUIXZENUSHU-INIZCTEOSA-N
MW322.36 g/mol
LogP0.50
Rot. Bonds3

About 1-[(6S)-8-(furan-2-carbonyl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]-3-hydroxypropan-1-one

1-[(6S)-8-(furan-2-carbonyl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]-3-hydroxypropan-1-one (PubChem CID 97396617) has the molecular formula C16H22N2O5 and a molecular weight of 322.36 g/mol. Its IUPAC name is 1-[(6S)-8-(furan-2-carbonyl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]-3-hydroxypropan-1-one.

Molecular Properties

Compound Name1-[(6S)-8-(furan-2-carbonyl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]-3-hydroxypropan-1-one
PubChem CID97396617
Molecular FormulaC16H22N2O5
Molecular Weight322.36 g/mol
Exact Mass322.15
IUPAC Name1-[(6S)-8-(furan-2-carbonyl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]-3-hydroxypropan-1-one
SMILESO=C(CCO)N1CCO[C@@]2(CCCN(C(=O)c3ccco3)C2)C1
InChIInChI=1S/C16H22N2O5/c19-8-4-14(20)17-7-10-23-16(11-17)5-2-6-18(12-16)15(21)13-3-1-9-22-13/h1,3,9,19H,2,4-8,10-12H2/t16-/m0/s1
InChIKeySIOAUIXZENUSHU-INIZCTEOSA-N
XLogP0.50
TPSA83.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(6R)-4-methyl-1-oxa-4,8-diazaspiro[5.5]undecan-8-yl]-2-phenylethanone
CID 97449072
furan-2-yl-[8-(pyridin-3-ylmethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]methanone
CID 134072937
azepan-1-yl(furan-2-yl)methanone
CID 5200992
1-[4-(furan-2-carbonyl)-1,4-diazepan-1-yl]butan-1-one
CID 110796632
furan-2-yl-[(3R,5R)-3-(pyrimidin-2-ylamino)-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone
CID 97371695
1,4-dioxa-8-azaspiro[4.5]decan-8-yl(furan-2-yl)methanone
CID 2225250
[(6S)-11-[2-(dimethylamino)ethyl]-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]-(furan-2-yl)methanone
CID 97397948
furan-2-yl-[4-(1-hydroxycyclopentanecarbonyl)piperazin-1-yl]methanone
CID 110906971
1-[4-(furan-2-carbonyl)piperazin-1-yl]-3-morpholin-4-ylpropane-1,3-dione
CID 108943477
3-(azepan-1-yl)-1-[4-(furan-2-carbonyl)piperazin-1-yl]propan-1-one
CID 109030070
methyl 4-[4-(furan-2-carbonyl)-1,4-diazepan-1-yl]-4-oxobutanoate
CID 110797620
furan-2-yl-[(3R,5R)-3-[[methyl(propan-2-yl)amino]methyl]-1,10-dioxa-7-azaspiro[4.6]undecan-7-yl]methanone
CID 98814692

Frequently Asked Questions

What is the IUPAC name of 1-[(6S)-8-(furan-2-carbonyl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]-3-hydroxypropan-1-one?
The IUPAC name of 1-[(6S)-8-(furan-2-carbonyl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]-3-hydroxypropan-1-one (CID 97396617) is 1-[(6S)-8-(furan-2-carbonyl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]-3-hydroxypropan-1-one.
What is the SMILES notation for 1-[(6S)-8-(furan-2-carbonyl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]-3-hydroxypropan-1-one?
The canonical SMILES for 1-[(6S)-8-(furan-2-carbonyl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]-3-hydroxypropan-1-one is O=C(CCO)N1CCO[C@@]2(CCCN(C(=O)c3ccco3)C2)C1.
What is the InChIKey of 1-[(6S)-8-(furan-2-carbonyl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]-3-hydroxypropan-1-one?
The InChIKey is SIOAUIXZENUSHU-INIZCTEOSA-N. The full InChI is InChI=1S/C16H22N2O5/c19-8-4-14(20)17-7-10-23-16(11-17)5-2-6-18(12-16)15(21)13-3-1-9-22-13/h1,3,9,19H,2,4-8,10-12H2/t16-/m0/s1.
What are the key properties of 1-[(6S)-8-(furan-2-carbonyl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]-3-hydroxypropan-1-one?
1-[(6S)-8-(furan-2-carbonyl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]-3-hydroxypropan-1-one has a molecular weight of 322.36 g/mol, XLogP of 0.50, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6S)-8-(furan-2-carbonyl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]-3-hydroxypropan-1-one is sourced from PubChem (CID 97396617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).