[(2R)-2-[4-[4-[hydroxy(methoxy)methyl]piperidin-2-yl]phenyl]-6-azaspiro[2.5]octan-6-yl]-[(2R)-oxolan-2-yl]methanone

C25H36N2O4 — CID 146554960

IUPAC[(2R)-2-[4-[4-[hydroxy(methoxy)methyl]piperidin-2-yl]phenyl]-6-azaspiro[2.5]octan-6-yl]-[(2R)-oxolan-2-yl]methanone
SMILESCOC(O)C1CCNC(c2ccc([C@@H]3CC34CCN(C(=O)[C@H]3CCCO3)CC4)cc2)C1
InChIInChI=1S/C25H36N2O4/c1-30-24(29)19-8-11-26-21(15-19)18-6-4-17(5-7-18)20-16-25(20)9-12-27(13-10-25)23(28)22-3-2-14-31-22/h4-7,19-22,24,26,29H,2-3,8-16H2,1H3/t19?,20-,21?,22+,24?/m0/s1
InChIKeyFOXHJWBOECCSMY-AYQXISFZSA-N
MW428.57 g/mol
LogP2.97
Rot. Bonds5

About [(2R)-2-[4-[4-[hydroxy(methoxy)methyl]piperidin-2-yl]phenyl]-6-azaspiro[2.5]octan-6-yl]-[(2R)-oxolan-2-yl]methanone

[(2R)-2-[4-[4-[hydroxy(methoxy)methyl]piperidin-2-yl]phenyl]-6-azaspiro[2.5]octan-6-yl]-[(2R)-oxolan-2-yl]methanone (PubChem CID 146554960) has the molecular formula C25H36N2O4 and a molecular weight of 428.57 g/mol. Its IUPAC name is [(2R)-2-[4-[4-[hydroxy(methoxy)methyl]piperidin-2-yl]phenyl]-6-azaspiro[2.5]octan-6-yl]-[(2R)-oxolan-2-yl]methanone.

Molecular Properties

Compound Name[(2R)-2-[4-[4-[hydroxy(methoxy)methyl]piperidin-2-yl]phenyl]-6-azaspiro[2.5]octan-6-yl]-[(2R)-oxolan-2-yl]methanone
PubChem CID146554960
Molecular FormulaC25H36N2O4
Molecular Weight428.57 g/mol
Exact Mass428.27
IUPAC Name[(2R)-2-[4-[4-[hydroxy(methoxy)methyl]piperidin-2-yl]phenyl]-6-azaspiro[2.5]octan-6-yl]-[(2R)-oxolan-2-yl]methanone
SMILESCOC(O)C1CCNC(c2ccc([C@@H]3CC34CCN(C(=O)[C@H]3CCCO3)CC4)cc2)C1
InChIInChI=1S/C25H36N2O4/c1-30-24(29)19-8-11-26-21(15-19)18-6-4-17(5-7-18)20-16-25(20)9-12-27(13-10-25)23(28)22-3-2-14-31-22/h4-7,19-22,24,26,29H,2-3,8-16H2,1H3/t19?,20-,21?,22+,24?/m0/s1
InChIKeyFOXHJWBOECCSMY-AYQXISFZSA-N
XLogP2.97
TPSA71.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.57
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

[(2S)-2-(4-methylphenyl)-6-azaspiro[2.5]octan-6-yl]-[(2R)-oxolan-2-yl]methanone
CID 146504722
[2-(4-bromophenyl)-5-azaspiro[2.4]heptan-5-yl]-[(2R)-oxolan-2-yl]methanone
CID 146471082
3-methyl-5-[4-[(2S)-6-(oxolane-2-carbonyl)-6-azaspiro[2.5]octan-2-yl]phenyl]benzoic acid
CID 146471115
3-methyl-5-[4-[(2R)-6-(oxolane-2-carbonyl)-6-azaspiro[2.5]octan-2-yl]phenyl]benzoic acid
CID 146471291
3-chloro-4-methoxy-5-[4-[6-[(2R)-oxolane-2-carbonyl]-6-azaspiro[2.5]octan-2-yl]phenyl]benzoic acid
CID 146471150
3-fluoro-5-[4-[(2R)-6-[(2R)-oxolane-2-carbonyl]-6-azaspiro[2.5]octan-2-yl]phenyl]benzoic acid
CID 146471104
4-[4-[(2S)-6-(oxolane-2-carbonyl)-6-azaspiro[2.5]octan-2-yl]phenyl]pyridine-2-carboxylic acid
CID 146471193
3-fluoro-5-[4-[(2S)-6-[(2R)-oxolane-2-carbonyl]-6-azaspiro[2.5]octan-2-yl]phenyl]benzoic acid
CID 146471204
[(2R)-oxolan-2-yl]-[(2S)-2-[4-[3-(tetrazolidin-5-yl)phenyl]phenyl]-6-azaspiro[2.5]octan-6-yl]methanone
CID 155439334
[(Z)-C-[4-[4-[(2S)-6-[(2R)-oxolane-2-carbonyl]-6-azaspiro[2.5]octan-2-yl]phenyl]phenyl]carbonohydrazonoyl]iminoazanium
CID 172954018
3-chloro-4-[4-[(2S)-6-[(2R)-oxolane-2-carbonyl]-6-azaspiro[2.5]octan-2-yl]phenyl]benzoic acid
CID 146471120
4-chloro-3-methyl-5-[4-[(2R)-6-(oxolane-2-carbonyl)-6-azaspiro[2.5]octan-2-yl]phenyl]benzoic acid
CID 146470961

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-[4-[4-[hydroxy(methoxy)methyl]piperidin-2-yl]phenyl]-6-azaspiro[2.5]octan-6-yl]-[(2R)-oxolan-2-yl]methanone?
The IUPAC name of [(2R)-2-[4-[4-[hydroxy(methoxy)methyl]piperidin-2-yl]phenyl]-6-azaspiro[2.5]octan-6-yl]-[(2R)-oxolan-2-yl]methanone (CID 146554960) is [(2R)-2-[4-[4-[hydroxy(methoxy)methyl]piperidin-2-yl]phenyl]-6-azaspiro[2.5]octan-6-yl]-[(2R)-oxolan-2-yl]methanone.
What is the SMILES notation for [(2R)-2-[4-[4-[hydroxy(methoxy)methyl]piperidin-2-yl]phenyl]-6-azaspiro[2.5]octan-6-yl]-[(2R)-oxolan-2-yl]methanone?
The canonical SMILES for [(2R)-2-[4-[4-[hydroxy(methoxy)methyl]piperidin-2-yl]phenyl]-6-azaspiro[2.5]octan-6-yl]-[(2R)-oxolan-2-yl]methanone is COC(O)C1CCNC(c2ccc([C@@H]3CC34CCN(C(=O)[C@H]3CCCO3)CC4)cc2)C1.
What is the InChIKey of [(2R)-2-[4-[4-[hydroxy(methoxy)methyl]piperidin-2-yl]phenyl]-6-azaspiro[2.5]octan-6-yl]-[(2R)-oxolan-2-yl]methanone?
The InChIKey is FOXHJWBOECCSMY-AYQXISFZSA-N. The full InChI is InChI=1S/C25H36N2O4/c1-30-24(29)19-8-11-26-21(15-19)18-6-4-17(5-7-18)20-16-25(20)9-12-27(13-10-25)23(28)22-3-2-14-31-22/h4-7,19-22,24,26,29H,2-3,8-16H2,1H3/t19?,20-,21?,22+,24?/m0/s1.
What are the key properties of [(2R)-2-[4-[4-[hydroxy(methoxy)methyl]piperidin-2-yl]phenyl]-6-azaspiro[2.5]octan-6-yl]-[(2R)-oxolan-2-yl]methanone?
[(2R)-2-[4-[4-[hydroxy(methoxy)methyl]piperidin-2-yl]phenyl]-6-azaspiro[2.5]octan-6-yl]-[(2R)-oxolan-2-yl]methanone has a molecular weight of 428.57 g/mol, XLogP of 2.97, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-[4-[4-[hydroxy(methoxy)methyl]piperidin-2-yl]phenyl]-6-azaspiro[2.5]octan-6-yl]-[(2R)-oxolan-2-yl]methanone is sourced from PubChem (CID 146554960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).