tert-butyl 4-[1-oxo-7-(2-oxo-2-phenylmethoxyethyl)-2-azaspiro[4.5]decan-2-yl]piperidine-1-carboxylate

C28H40N2O5 — CID 58237196

IUPACtert-butyl 4-[1-oxo-7-(2-oxo-2-phenylmethoxyethyl)-2-azaspiro[4.5]decan-2-yl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(N2CCC3(CCCC(CC(=O)OCc4ccccc4)C3)C2=O)CC1
InChIInChI=1S/C28H40N2O5/c1-27(2,3)35-26(33)29-15-11-23(12-16-29)30-17-14-28(25(30)32)13-7-10-22(19-28)18-24(31)34-20-21-8-5-4-6-9-21/h4-6,8-9,22-23H,7,10-20H2,1-3H3
InChIKeyXDEWFHRFTLHEGC-UHFFFAOYSA-N
MW484.64 g/mol
LogP4.93
Rot. Bonds5

About tert-butyl 4-[1-oxo-7-(2-oxo-2-phenylmethoxyethyl)-2-azaspiro[4.5]decan-2-yl]piperidine-1-carboxylate

tert-butyl 4-[1-oxo-7-(2-oxo-2-phenylmethoxyethyl)-2-azaspiro[4.5]decan-2-yl]piperidine-1-carboxylate (PubChem CID 58237196) has the molecular formula C28H40N2O5 and a molecular weight of 484.64 g/mol. Its IUPAC name is tert-butyl 4-[1-oxo-7-(2-oxo-2-phenylmethoxyethyl)-2-azaspiro[4.5]decan-2-yl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[1-oxo-7-(2-oxo-2-phenylmethoxyethyl)-2-azaspiro[4.5]decan-2-yl]piperidine-1-carboxylate
PubChem CID58237196
Molecular FormulaC28H40N2O5
Molecular Weight484.64 g/mol
Exact Mass484.29
IUPAC Nametert-butyl 4-[1-oxo-7-(2-oxo-2-phenylmethoxyethyl)-2-azaspiro[4.5]decan-2-yl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(N2CCC3(CCCC(CC(=O)OCc4ccccc4)C3)C2=O)CC1
InChIInChI=1S/C28H40N2O5/c1-27(2,3)35-26(33)29-15-11-23(12-16-29)30-17-14-28(25(30)32)13-7-10-22(19-28)18-24(31)34-20-21-8-5-4-6-9-21/h4-6,8-9,22-23H,7,10-20H2,1-3H3
InChIKeyXDEWFHRFTLHEGC-UHFFFAOYSA-N
XLogP4.93
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.64
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze tert-butyl 4-[1-oxo-7-(2-oxo-2-phenylmethoxyethyl)-2-azaspiro[4.5]decan-2-yl]piperidine-1-carboxylate with MolForge

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Related Compounds

tert-butyl (3S)-3-(2-oxo-2-phenylmethoxyethyl)piperidine-1-carboxylate
CID 171613468
tert-butyl (3R)-3-(2-oxo-2-phenylmethoxyethyl)pyrrolidine-1-carboxylate
CID 58120124
benzyl 4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]piperidine-1-carboxylate
CID 131636835
tert-butyl 9-(1-phenylmethoxycarbonylpiperidin-4-yl)-3,9-diazaspiro[5.5]undecane-3-carboxylate
CID 166095550
benzyl 4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]sulfanylpiperidine-1-carboxylate
CID 129189016
tert-butyl 4-(phenylmethoxycarbonylaminomethyl)azepane-1-carboxylate
CID 137424963
4-O-benzyl 1-O-tert-butyl 4-formyloxypiperidine-1,4-dicarboxylate
CID 174582044
4-O-benzyl 1-O-methyl (2R)-2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methyl]butanedioate
CID 58474180
benzyl 4-[2-hydroxy-3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]propyl]piperidine-1-carboxylate
CID 177321170
tert-butyl (8aR)-3-oxo-2-[(1R)-3-oxo-1-phenyl-3-phenylmethoxypropyl]-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazine-7-carboxylate
CID 155089765
tert-butyl 4-[[1-(1-phenylmethoxycarbonylpiperidin-4-yl)piperidin-4-yl]methyl]piperazine-1-carboxylate
CID 163378117
tert-butyl 4-(2-phenylmethoxyphenoxy)piperidine-1-carboxylate
CID 67313124

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[1-oxo-7-(2-oxo-2-phenylmethoxyethyl)-2-azaspiro[4.5]decan-2-yl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[1-oxo-7-(2-oxo-2-phenylmethoxyethyl)-2-azaspiro[4.5]decan-2-yl]piperidine-1-carboxylate (CID 58237196) is tert-butyl 4-[1-oxo-7-(2-oxo-2-phenylmethoxyethyl)-2-azaspiro[4.5]decan-2-yl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[1-oxo-7-(2-oxo-2-phenylmethoxyethyl)-2-azaspiro[4.5]decan-2-yl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[1-oxo-7-(2-oxo-2-phenylmethoxyethyl)-2-azaspiro[4.5]decan-2-yl]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(N2CCC3(CCCC(CC(=O)OCc4ccccc4)C3)C2=O)CC1.
What is the InChIKey of tert-butyl 4-[1-oxo-7-(2-oxo-2-phenylmethoxyethyl)-2-azaspiro[4.5]decan-2-yl]piperidine-1-carboxylate?
The InChIKey is XDEWFHRFTLHEGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H40N2O5/c1-27(2,3)35-26(33)29-15-11-23(12-16-29)30-17-14-28(25(30)32)13-7-10-22(19-28)18-24(31)34-20-21-8-5-4-6-9-21/h4-6,8-9,22-23H,7,10-20H2,1-3H3.
What are the key properties of tert-butyl 4-[1-oxo-7-(2-oxo-2-phenylmethoxyethyl)-2-azaspiro[4.5]decan-2-yl]piperidine-1-carboxylate?
tert-butyl 4-[1-oxo-7-(2-oxo-2-phenylmethoxyethyl)-2-azaspiro[4.5]decan-2-yl]piperidine-1-carboxylate has a molecular weight of 484.64 g/mol, XLogP of 4.93, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[1-oxo-7-(2-oxo-2-phenylmethoxyethyl)-2-azaspiro[4.5]decan-2-yl]piperidine-1-carboxylate is sourced from PubChem (CID 58237196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).