1-[(6R)-4-[[2-(furan-2-yl)phenyl]methyl]-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-8-yl]propan-1-one

C22H28N2O4 — CID 95710196

IUPAC1-[(6R)-4-[[2-(furan-2-yl)phenyl]methyl]-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-8-yl]propan-1-one
SMILESCCC(=O)N1CCOC[C@@]2(CN(Cc3ccccc3-c3ccco3)CCO2)C1
InChIInChI=1S/C22H28N2O4/c1-2-21(25)24-10-12-26-17-22(16-24)15-23(9-13-28-22)14-18-6-3-4-7-19(18)20-8-5-11-27-20/h3-8,11H,2,9-10,12-17H2,1H3/t22-/m1/s1
InChIKeyUIDANMCFTJHWQP-JOCHJYFZSA-N
MW384.48 g/mol
LogP2.79
Rot. Bonds4

About 1-[(6R)-4-[[2-(furan-2-yl)phenyl]methyl]-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-8-yl]propan-1-one

1-[(6R)-4-[[2-(furan-2-yl)phenyl]methyl]-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-8-yl]propan-1-one (PubChem CID 95710196) has the molecular formula C22H28N2O4 and a molecular weight of 384.48 g/mol. Its IUPAC name is 1-[(6R)-4-[[2-(furan-2-yl)phenyl]methyl]-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-8-yl]propan-1-one.

Molecular Properties

Compound Name1-[(6R)-4-[[2-(furan-2-yl)phenyl]methyl]-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-8-yl]propan-1-one
PubChem CID95710196
Molecular FormulaC22H28N2O4
Molecular Weight384.48 g/mol
Exact Mass384.20
IUPAC Name1-[(6R)-4-[[2-(furan-2-yl)phenyl]methyl]-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-8-yl]propan-1-one
SMILESCCC(=O)N1CCOC[C@@]2(CN(Cc3ccccc3-c3ccco3)CCO2)C1
InChIInChI=1S/C22H28N2O4/c1-2-21(25)24-10-12-26-17-22(16-24)15-23(9-13-28-22)14-18-6-3-4-7-19(18)20-8-5-11-27-20/h3-8,11H,2,9-10,12-17H2,1H3/t22-/m1/s1
InChIKeyUIDANMCFTJHWQP-JOCHJYFZSA-N
XLogP2.79
TPSA55.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[(6R)-4-[[2-(furan-2-yl)phenyl]methyl]-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-8-yl]propan-1-one with MolForge

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Related Compounds

1-[(6S)-4-(pyridin-2-ylmethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-8-yl]ethanone
CID 97495173
1-[8-(2-methoxyethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]-2-phenylethanone
CID 134072862
1-[(6S)-4-(pyridin-4-ylmethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-8-yl]ethanone
CID 97373177
furan-2-yl-[8-(pyridin-3-ylmethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]methanone
CID 134072937
1-[4-(thiophen-3-ylmethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-8-yl]ethanone
CID 131650230
ethyl 4-[6-[[2-(furan-2-yl)phenyl]methyl]-6-azaspiro[2.5]octane-2-carbonyl]piperazine-1-carboxylate
CID 45218531
1-[8-(cyclopropylmethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]-2-(1H-indol-3-yl)ethanone
CID 134072864
1-[2-[[furan-2-ylmethyl(methyl)amino]methyl]-1,10-dioxa-7-azaspiro[4.6]undecan-7-yl]propan-1-one
CID 131642573
1-[(6R)-4-(cyclopropylmethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-8-yl]ethanone
CID 97373186
N-methyl-2-[4-(pyridine-2-carbonyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-8-yl]acetamide
CID 134072875
1-[4-(thiophen-3-ylmethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-8-yl]ethanone;2,2,2-trifluoroacetic acid
CID 155847721
1-[4-[(1-methylpyrazol-4-yl)methyl]-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-8-yl]ethanone;2,2,2-trifluoroacetic acid
CID 155856728

Frequently Asked Questions

What is the IUPAC name of 1-[(6R)-4-[[2-(furan-2-yl)phenyl]methyl]-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-8-yl]propan-1-one?
The IUPAC name of 1-[(6R)-4-[[2-(furan-2-yl)phenyl]methyl]-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-8-yl]propan-1-one (CID 95710196) is 1-[(6R)-4-[[2-(furan-2-yl)phenyl]methyl]-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-8-yl]propan-1-one.
What is the SMILES notation for 1-[(6R)-4-[[2-(furan-2-yl)phenyl]methyl]-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-8-yl]propan-1-one?
The canonical SMILES for 1-[(6R)-4-[[2-(furan-2-yl)phenyl]methyl]-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-8-yl]propan-1-one is CCC(=O)N1CCOC[C@@]2(CN(Cc3ccccc3-c3ccco3)CCO2)C1.
What is the InChIKey of 1-[(6R)-4-[[2-(furan-2-yl)phenyl]methyl]-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-8-yl]propan-1-one?
The InChIKey is UIDANMCFTJHWQP-JOCHJYFZSA-N. The full InChI is InChI=1S/C22H28N2O4/c1-2-21(25)24-10-12-26-17-22(16-24)15-23(9-13-28-22)14-18-6-3-4-7-19(18)20-8-5-11-27-20/h3-8,11H,2,9-10,12-17H2,1H3/t22-/m1/s1.
What are the key properties of 1-[(6R)-4-[[2-(furan-2-yl)phenyl]methyl]-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-8-yl]propan-1-one?
1-[(6R)-4-[[2-(furan-2-yl)phenyl]methyl]-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-8-yl]propan-1-one has a molecular weight of 384.48 g/mol, XLogP of 2.79, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6R)-4-[[2-(furan-2-yl)phenyl]methyl]-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-8-yl]propan-1-one is sourced from PubChem (CID 95710196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).