1-[4-[(4R,5S)-4,5-dihydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl]piperidin-1-yl]butan-1-one

C19H34N2O4 — CID 135101382

IUPAC1-[4-[(4R,5S)-4,5-dihydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl]piperidin-1-yl]butan-1-one
SMILESCCCC(=O)N1CCC(N2CCC3(CC2)OCC[C@@](C)(O)[C@@H]3O)CC1
InChIInChI=1S/C19H34N2O4/c1-3-4-16(22)21-10-5-15(6-11-21)20-12-7-19(8-13-20)17(23)18(2,24)9-14-25-19/h15,17,23-24H,3-14H2,1-2H3/t17-,18+/m0/s1
InChIKeyODZKAQUFZHFRBN-ZWKOTPCHSA-N
MW354.49 g/mol
LogP1.14
Rot. Bonds3

About 1-[4-[(4R,5S)-4,5-dihydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl]piperidin-1-yl]butan-1-one

1-[4-[(4R,5S)-4,5-dihydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl]piperidin-1-yl]butan-1-one (PubChem CID 135101382) has the molecular formula C19H34N2O4 and a molecular weight of 354.49 g/mol. Its IUPAC name is 1-[4-[(4R,5S)-4,5-dihydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl]piperidin-1-yl]butan-1-one.

Molecular Properties

Compound Name1-[4-[(4R,5S)-4,5-dihydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl]piperidin-1-yl]butan-1-one
PubChem CID135101382
Molecular FormulaC19H34N2O4
Molecular Weight354.49 g/mol
Exact Mass354.25
IUPAC Name1-[4-[(4R,5S)-4,5-dihydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl]piperidin-1-yl]butan-1-one
SMILESCCCC(=O)N1CCC(N2CCC3(CC2)OCC[C@@](C)(O)[C@@H]3O)CC1
InChIInChI=1S/C19H34N2O4/c1-3-4-16(22)21-10-5-15(6-11-21)20-12-7-19(8-13-20)17(23)18(2,24)9-14-25-19/h15,17,23-24H,3-14H2,1-2H3/t17-,18+/m0/s1
InChIKeyODZKAQUFZHFRBN-ZWKOTPCHSA-N
XLogP1.14
TPSA73.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.49
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[4-[(4R,5S)-4,5-dihydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl]piperidin-1-yl]butan-1-one with MolForge

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Related Compounds

2-[(4R,5S)-4,5-dihydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl]-1-pyrrolidin-1-ylethanone
CID 135104074
1-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]butan-1-one
CID 54447693
1-[(4R,5S)-4,5-dihydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl]-2-(4-hydroxyphenyl)ethanone
CID 163310573
1-[(4R,5S)-4,5-dihydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl]-4-(1,2,4-triazol-1-yl)butan-1-one;formic acid
CID 166599470
1-[4-[4-(morpholine-4-carbonyl)piperidin-1-yl]piperidin-1-yl]butan-1-one
CID 42693440
1-[(4R,5S)-4,5-dihydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl]-2-(3-fluoro-4-methoxyphenyl)ethanone
CID 163306066
[(4R,5S)-4,5-dihydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl]-(1-methylimidazol-4-yl)methanone
CID 135100932
6-[(4R,5S)-4,5-dihydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl]pyrazine-2-carboxylic acid
CID 137345511
1-[4-(5-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)piperidin-1-yl]ethanone
CID 110156309
tert-butyl 4-(4-hydroxy-4-methylpiperidin-1-yl)piperidine-1-carboxylate
CID 67298757
2,3-dihydro-1,4-benzodioxin-6-yl-[(4R,5S)-4,5-dihydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone
CID 166624334
4-[(4R,5S)-4,5-dihydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecane-9-carbonyl]-2H-phthalazin-1-one
CID 163318414

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(4R,5S)-4,5-dihydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl]piperidin-1-yl]butan-1-one?
The IUPAC name of 1-[4-[(4R,5S)-4,5-dihydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl]piperidin-1-yl]butan-1-one (CID 135101382) is 1-[4-[(4R,5S)-4,5-dihydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl]piperidin-1-yl]butan-1-one.
What is the SMILES notation for 1-[4-[(4R,5S)-4,5-dihydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl]piperidin-1-yl]butan-1-one?
The canonical SMILES for 1-[4-[(4R,5S)-4,5-dihydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl]piperidin-1-yl]butan-1-one is CCCC(=O)N1CCC(N2CCC3(CC2)OCC[C@@](C)(O)[C@@H]3O)CC1.
What is the InChIKey of 1-[4-[(4R,5S)-4,5-dihydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl]piperidin-1-yl]butan-1-one?
The InChIKey is ODZKAQUFZHFRBN-ZWKOTPCHSA-N. The full InChI is InChI=1S/C19H34N2O4/c1-3-4-16(22)21-10-5-15(6-11-21)20-12-7-19(8-13-20)17(23)18(2,24)9-14-25-19/h15,17,23-24H,3-14H2,1-2H3/t17-,18+/m0/s1.
What are the key properties of 1-[4-[(4R,5S)-4,5-dihydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl]piperidin-1-yl]butan-1-one?
1-[4-[(4R,5S)-4,5-dihydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl]piperidin-1-yl]butan-1-one has a molecular weight of 354.49 g/mol, XLogP of 1.14, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(4R,5S)-4,5-dihydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl]piperidin-1-yl]butan-1-one is sourced from PubChem (CID 135101382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).