methyl (2S)-2-[2-(2-methylpropyl)-3-oxo-2,8-diazaspiro[4.5]decane-8-carbonyl]piperidine-1-carboxylate

C20H33N3O4 — CID 97206845

IUPACmethyl (2S)-2-[2-(2-methylpropyl)-3-oxo-2,8-diazaspiro[4.5]decane-8-carbonyl]piperidine-1-carboxylate
SMILESCOC(=O)N1CCCC[C@H]1C(=O)N1CCC2(CC1)CC(=O)N(CC(C)C)C2
InChIInChI=1S/C20H33N3O4/c1-15(2)13-22-14-20(12-17(22)24)7-10-21(11-8-20)18(25)16-6-4-5-9-23(16)19(26)27-3/h15-16H,4-14H2,1-3H3/t16-/m0/s1
InChIKeyUNPNEFFZIRRRDD-INIZCTEOSA-N
MW379.50 g/mol
LogP2.10
Rot. Bonds3

About methyl (2S)-2-[2-(2-methylpropyl)-3-oxo-2,8-diazaspiro[4.5]decane-8-carbonyl]piperidine-1-carboxylate

methyl (2S)-2-[2-(2-methylpropyl)-3-oxo-2,8-diazaspiro[4.5]decane-8-carbonyl]piperidine-1-carboxylate (PubChem CID 97206845) has the molecular formula C20H33N3O4 and a molecular weight of 379.50 g/mol. Its IUPAC name is methyl (2S)-2-[2-(2-methylpropyl)-3-oxo-2,8-diazaspiro[4.5]decane-8-carbonyl]piperidine-1-carboxylate.

Molecular Properties

Compound Namemethyl (2S)-2-[2-(2-methylpropyl)-3-oxo-2,8-diazaspiro[4.5]decane-8-carbonyl]piperidine-1-carboxylate
PubChem CID97206845
Molecular FormulaC20H33N3O4
Molecular Weight379.50 g/mol
Exact Mass379.25
IUPAC Namemethyl (2S)-2-[2-(2-methylpropyl)-3-oxo-2,8-diazaspiro[4.5]decane-8-carbonyl]piperidine-1-carboxylate
SMILESCOC(=O)N1CCCC[C@H]1C(=O)N1CCC2(CC1)CC(=O)N(CC(C)C)C2
InChIInChI=1S/C20H33N3O4/c1-15(2)13-22-14-20(12-17(22)24)7-10-21(11-8-20)18(25)16-6-4-5-9-23(16)19(26)27-3/h15-16H,4-14H2,1-3H3/t16-/m0/s1
InChIKeyUNPNEFFZIRRRDD-INIZCTEOSA-N
XLogP2.10
TPSA70.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.50
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl (2S)-2-[2-(2-methylpropyl)-3-oxo-2,8-diazaspiro[4.5]decane-8-carbonyl]piperidine-1-carboxylate with MolForge

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Related Compounds

methyl (2R)-2-(2-ethyl-3-oxo-2,8-diazaspiro[4.5]decane-8-carbonyl)piperidine-1-carboxylate
CID 97274984
methyl (2R)-2-(piperidine-1-carbonyl)piperidine-1-carboxylate
CID 44550100
8-(2-ethylsulfonylpropanoyl)-2-(2-methylpropyl)-2,8-diazaspiro[4.5]decan-3-one
CID 72843113
N-(3,4-difluorophenyl)-2-(2-methylpropyl)-3-oxo-2,8-diazaspiro[4.5]decane-8-carboxamide
CID 72849958
1,3-dimethyl-6-[2-(2-methylpropyl)-3-oxo-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrimidine-2,4-dione
CID 72860462
1-[2-(6-azaspiro[3.4]octane-6-carbonyl)piperidin-1-yl]propan-1-one
CID 102555137
8-[(2R)-2-fluoro-2-phenylacetyl]-2-(2-methylpropyl)-2,8-diazaspiro[4.5]decan-3-one
CID 97139736
2-ethyl-8-[(2S)-1-(2-methoxyacetyl)-4-methylpiperazine-2-carbonyl]-2,8-diazaspiro[4.5]decan-3-one
CID 97276430
8-[2-(4-fluorophenoxy)acetyl]-2-(2-methylpropyl)-2,8-diazaspiro[4.5]decan-3-one
CID 72936310
2-(2-methoxyethyl)-8-(oxane-4-carbonyl)-2,8-diazaspiro[4.5]decan-3-one
CID 98896376
methyl 2-[4-(4-methyl-1H-pyrazol-5-yl)piperidine-1-carbonyl]piperidine-1-carboxylate
CID 90648666
methyl 2-[4-(2-amino-1,3-thiazol-4-yl)-4-phenylpiperidine-1-carbonyl]piperidine-1-carboxylate
CID 165421768

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-[2-(2-methylpropyl)-3-oxo-2,8-diazaspiro[4.5]decane-8-carbonyl]piperidine-1-carboxylate?
The IUPAC name of methyl (2S)-2-[2-(2-methylpropyl)-3-oxo-2,8-diazaspiro[4.5]decane-8-carbonyl]piperidine-1-carboxylate (CID 97206845) is methyl (2S)-2-[2-(2-methylpropyl)-3-oxo-2,8-diazaspiro[4.5]decane-8-carbonyl]piperidine-1-carboxylate.
What is the SMILES notation for methyl (2S)-2-[2-(2-methylpropyl)-3-oxo-2,8-diazaspiro[4.5]decane-8-carbonyl]piperidine-1-carboxylate?
The canonical SMILES for methyl (2S)-2-[2-(2-methylpropyl)-3-oxo-2,8-diazaspiro[4.5]decane-8-carbonyl]piperidine-1-carboxylate is COC(=O)N1CCCC[C@H]1C(=O)N1CCC2(CC1)CC(=O)N(CC(C)C)C2.
What is the InChIKey of methyl (2S)-2-[2-(2-methylpropyl)-3-oxo-2,8-diazaspiro[4.5]decane-8-carbonyl]piperidine-1-carboxylate?
The InChIKey is UNPNEFFZIRRRDD-INIZCTEOSA-N. The full InChI is InChI=1S/C20H33N3O4/c1-15(2)13-22-14-20(12-17(22)24)7-10-21(11-8-20)18(25)16-6-4-5-9-23(16)19(26)27-3/h15-16H,4-14H2,1-3H3/t16-/m0/s1.
What are the key properties of methyl (2S)-2-[2-(2-methylpropyl)-3-oxo-2,8-diazaspiro[4.5]decane-8-carbonyl]piperidine-1-carboxylate?
methyl (2S)-2-[2-(2-methylpropyl)-3-oxo-2,8-diazaspiro[4.5]decane-8-carbonyl]piperidine-1-carboxylate has a molecular weight of 379.50 g/mol, XLogP of 2.10, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-[2-(2-methylpropyl)-3-oxo-2,8-diazaspiro[4.5]decane-8-carbonyl]piperidine-1-carboxylate is sourced from PubChem (CID 97206845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).