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

C21H28N2O4 — CID 71687267

IUPACmethyl 8-(cyclopropylmethyl)-2-oxo-1-phenylmethoxy-1,8-diazaspiro[4.5]decane-4-carboxylate
SMILESCOC(=O)C1CC(=O)N(OCc2ccccc2)C12CCN(CC1CC1)CC2
InChIInChI=1S/C21H28N2O4/c1-26-20(25)18-13-19(24)23(27-15-17-5-3-2-4-6-17)21(18)9-11-22(12-10-21)14-16-7-8-16/h2-6,16,18H,7-15H2,1H3
InChIKeyZYELGXARJKNGEZ-UHFFFAOYSA-N
MW372.47 g/mol
LogP2.38
Rot. Bonds6

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

methyl 8-(cyclopropylmethyl)-2-oxo-1-phenylmethoxy-1,8-diazaspiro[4.5]decane-4-carboxylate (PubChem CID 71687267) has the molecular formula C21H28N2O4 and a molecular weight of 372.47 g/mol. Its IUPAC name is methyl 8-(cyclopropylmethyl)-2-oxo-1-phenylmethoxy-1,8-diazaspiro[4.5]decane-4-carboxylate.

Molecular Properties

Compound Namemethyl 8-(cyclopropylmethyl)-2-oxo-1-phenylmethoxy-1,8-diazaspiro[4.5]decane-4-carboxylate
PubChem CID71687267
Molecular FormulaC21H28N2O4
Molecular Weight372.47 g/mol
Exact Mass372.20
IUPAC Namemethyl 8-(cyclopropylmethyl)-2-oxo-1-phenylmethoxy-1,8-diazaspiro[4.5]decane-4-carboxylate
SMILESCOC(=O)C1CC(=O)N(OCc2ccccc2)C12CCN(CC1CC1)CC2
InChIInChI=1S/C21H28N2O4/c1-26-20(25)18-13-19(24)23(27-15-17-5-3-2-4-6-17)21(18)9-11-22(12-10-21)14-16-7-8-16/h2-6,16,18H,7-15H2,1H3
InChIKeyZYELGXARJKNGEZ-UHFFFAOYSA-N
XLogP2.38
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-oxo-1-phenylmethoxy-1,8-diazaspiro[4.5]decane-4-carboxylate
CID 118760045
methyl 2-oxo-1-phenylmethoxy-8-(quinolin-4-ylmethyl)-1,8-diazaspiro[4.5]decane-4-carboxylate
CID 71687351
methyl (4R)-2-oxo-1-phenylmethoxy-8-(quinolin-4-ylmethyl)-1,8-diazaspiro[4.5]decane-4-carboxylate
CID 95708997
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 8-[[5-(hydroxymethyl)furan-2-yl]methyl]-1-(naphthalen-2-ylmethoxy)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylate
CID 71687516
methyl 8-[(2-chlorophenyl)methyl]-1-(2-methoxyethoxy)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylate
CID 71687335
methyl (4S)-1-ethoxy-2-oxo-8-(4-oxo-4-phenylbutanoyl)-1,8-diazaspiro[4.5]decane-4-carboxylate
CID 95715385
methyl (4S)-1-(2-methoxyethoxy)-2-oxo-8-(4-phenylbenzoyl)-1,8-diazaspiro[4.5]decane-4-carboxylate
CID 95715065
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-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-2-oxo-1-propoxy-1,8-diazaspiro[4.5]decane-4-carboxylate
CID 71687245
methyl 8-(1H-indol-3-ylmethyl)-1-(3-methylbutoxy)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylate
CID 71687270

Frequently Asked Questions

What is the IUPAC name of methyl 8-(cyclopropylmethyl)-2-oxo-1-phenylmethoxy-1,8-diazaspiro[4.5]decane-4-carboxylate?
The IUPAC name of methyl 8-(cyclopropylmethyl)-2-oxo-1-phenylmethoxy-1,8-diazaspiro[4.5]decane-4-carboxylate (CID 71687267) is methyl 8-(cyclopropylmethyl)-2-oxo-1-phenylmethoxy-1,8-diazaspiro[4.5]decane-4-carboxylate.
What is the SMILES notation for methyl 8-(cyclopropylmethyl)-2-oxo-1-phenylmethoxy-1,8-diazaspiro[4.5]decane-4-carboxylate?
The canonical SMILES for methyl 8-(cyclopropylmethyl)-2-oxo-1-phenylmethoxy-1,8-diazaspiro[4.5]decane-4-carboxylate is COC(=O)C1CC(=O)N(OCc2ccccc2)C12CCN(CC1CC1)CC2.
What is the InChIKey of methyl 8-(cyclopropylmethyl)-2-oxo-1-phenylmethoxy-1,8-diazaspiro[4.5]decane-4-carboxylate?
The InChIKey is ZYELGXARJKNGEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O4/c1-26-20(25)18-13-19(24)23(27-15-17-5-3-2-4-6-17)21(18)9-11-22(12-10-21)14-16-7-8-16/h2-6,16,18H,7-15H2,1H3.
What are the key properties of methyl 8-(cyclopropylmethyl)-2-oxo-1-phenylmethoxy-1,8-diazaspiro[4.5]decane-4-carboxylate?
methyl 8-(cyclopropylmethyl)-2-oxo-1-phenylmethoxy-1,8-diazaspiro[4.5]decane-4-carboxylate has a molecular weight of 372.47 g/mol, XLogP of 2.38, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 8-(cyclopropylmethyl)-2-oxo-1-phenylmethoxy-1,8-diazaspiro[4.5]decane-4-carboxylate is sourced from PubChem (CID 71687267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).