methyl (4R)-2-oxo-1-phenylmethoxy-8-(quinolin-4-ylmethyl)-1,8-diazaspiro[4.5]decane-4-carboxylate

C27H29N3O4 — CID 95708997

IUPACmethyl (4R)-2-oxo-1-phenylmethoxy-8-(quinolin-4-ylmethyl)-1,8-diazaspiro[4.5]decane-4-carboxylate
SMILESCOC(=O)[C@@H]1CC(=O)N(OCc2ccccc2)C12CCN(Cc1ccnc3ccccc13)CC2
InChIInChI=1S/C27H29N3O4/c1-33-26(32)23-17-25(31)30(34-19-20-7-3-2-4-8-20)27(23)12-15-29(16-13-27)18-21-11-14-28-24-10-6-5-9-22(21)24/h2-11,14,23H,12-13,15-19H2,1H3/t23-/m0/s1
InChIKeyOUBMSAKFYVSZTB-QHCPKHFHSA-N
MW459.55 g/mol
LogP3.72
Rot. Bonds6

About methyl (4R)-2-oxo-1-phenylmethoxy-8-(quinolin-4-ylmethyl)-1,8-diazaspiro[4.5]decane-4-carboxylate

methyl (4R)-2-oxo-1-phenylmethoxy-8-(quinolin-4-ylmethyl)-1,8-diazaspiro[4.5]decane-4-carboxylate (PubChem CID 95708997) has the molecular formula C27H29N3O4 and a molecular weight of 459.55 g/mol. Its IUPAC name is methyl (4R)-2-oxo-1-phenylmethoxy-8-(quinolin-4-ylmethyl)-1,8-diazaspiro[4.5]decane-4-carboxylate.

Molecular Properties

Compound Namemethyl (4R)-2-oxo-1-phenylmethoxy-8-(quinolin-4-ylmethyl)-1,8-diazaspiro[4.5]decane-4-carboxylate
PubChem CID95708997
Molecular FormulaC27H29N3O4
Molecular Weight459.55 g/mol
Exact Mass459.22
IUPAC Namemethyl (4R)-2-oxo-1-phenylmethoxy-8-(quinolin-4-ylmethyl)-1,8-diazaspiro[4.5]decane-4-carboxylate
SMILESCOC(=O)[C@@H]1CC(=O)N(OCc2ccccc2)C12CCN(Cc1ccnc3ccccc13)CC2
InChIInChI=1S/C27H29N3O4/c1-33-26(32)23-17-25(31)30(34-19-20-7-3-2-4-8-20)27(23)12-15-29(16-13-27)18-21-11-14-28-24-10-6-5-9-22(21)24/h2-11,14,23H,12-13,15-19H2,1H3/t23-/m0/s1
InChIKeyOUBMSAKFYVSZTB-QHCPKHFHSA-N
XLogP3.72
TPSA71.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.55
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl (4R)-2-oxo-1-phenylmethoxy-8-(quinolin-4-ylmethyl)-1,8-diazaspiro[4.5]decane-4-carboxylate with MolForge

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Related Compounds

methyl 2-oxo-1-phenylmethoxy-8-(quinolin-4-ylmethyl)-1,8-diazaspiro[4.5]decane-4-carboxylate
CID 71687351
methyl (4S)-2-oxo-1-prop-2-enoxy-8-(quinolin-4-ylmethyl)-1,8-diazaspiro[4.5]decane-4-carboxylate
CID 95724910
methyl 8-(cyclopropylmethyl)-2-oxo-1-phenylmethoxy-1,8-diazaspiro[4.5]decane-4-carboxylate
CID 71687267
methyl 1-ethoxy-2-oxo-8-(quinoxalin-5-ylmethyl)-1,8-diazaspiro[4.5]decane-4-carboxylate
CID 56852741
methyl 2-oxo-1-phenylmethoxy-1,8-diazaspiro[4.5]decane-4-carboxylate
CID 118760045
methyl 8-[(2-chlorophenyl)methyl]-1-(2-methoxyethoxy)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylate
CID 71687335
methyl 8-(1H-indol-3-ylmethyl)-1-(3-methylbutoxy)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylate
CID 71687270
methyl 1-ethoxy-2-oxo-8-[(5-phenyl-1H-pyrazol-4-yl)methyl]-1,8-diazaspiro[4.5]decane-4-carboxylate
CID 56852137
methyl 1-[(3-methoxyphenyl)methoxy]-2-oxo-8-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]-1,8-diazaspiro[4.5]decane-4-carboxylate
CID 71687471
methyl 8-[[5-(hydroxymethyl)furan-2-yl]methyl]-1-(naphthalen-2-ylmethoxy)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylate
CID 71687516
methyl (4R)-8-[[5-(hydroxymethyl)furan-2-yl]methyl]-1-(naphthalen-2-ylmethoxy)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylate
CID 95723525
methyl (4R)-8-[(2,4-dimethoxy-3-methylphenyl)methyl]-2-oxo-1-prop-2-enoxy-1,8-diazaspiro[4.5]decane-4-carboxylate
CID 95718249

Frequently Asked Questions

What is the IUPAC name of methyl (4R)-2-oxo-1-phenylmethoxy-8-(quinolin-4-ylmethyl)-1,8-diazaspiro[4.5]decane-4-carboxylate?
The IUPAC name of methyl (4R)-2-oxo-1-phenylmethoxy-8-(quinolin-4-ylmethyl)-1,8-diazaspiro[4.5]decane-4-carboxylate (CID 95708997) is methyl (4R)-2-oxo-1-phenylmethoxy-8-(quinolin-4-ylmethyl)-1,8-diazaspiro[4.5]decane-4-carboxylate.
What is the SMILES notation for methyl (4R)-2-oxo-1-phenylmethoxy-8-(quinolin-4-ylmethyl)-1,8-diazaspiro[4.5]decane-4-carboxylate?
The canonical SMILES for methyl (4R)-2-oxo-1-phenylmethoxy-8-(quinolin-4-ylmethyl)-1,8-diazaspiro[4.5]decane-4-carboxylate is COC(=O)[C@@H]1CC(=O)N(OCc2ccccc2)C12CCN(Cc1ccnc3ccccc13)CC2.
What is the InChIKey of methyl (4R)-2-oxo-1-phenylmethoxy-8-(quinolin-4-ylmethyl)-1,8-diazaspiro[4.5]decane-4-carboxylate?
The InChIKey is OUBMSAKFYVSZTB-QHCPKHFHSA-N. The full InChI is InChI=1S/C27H29N3O4/c1-33-26(32)23-17-25(31)30(34-19-20-7-3-2-4-8-20)27(23)12-15-29(16-13-27)18-21-11-14-28-24-10-6-5-9-22(21)24/h2-11,14,23H,12-13,15-19H2,1H3/t23-/m0/s1.
What are the key properties of methyl (4R)-2-oxo-1-phenylmethoxy-8-(quinolin-4-ylmethyl)-1,8-diazaspiro[4.5]decane-4-carboxylate?
methyl (4R)-2-oxo-1-phenylmethoxy-8-(quinolin-4-ylmethyl)-1,8-diazaspiro[4.5]decane-4-carboxylate has a molecular weight of 459.55 g/mol, XLogP of 3.72, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (4R)-2-oxo-1-phenylmethoxy-8-(quinolin-4-ylmethyl)-1,8-diazaspiro[4.5]decane-4-carboxylate is sourced from PubChem (CID 95708997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).