tert-butyl 4-[2-(2-acetyloxyethyl)-3-methyl-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]piperidine-1-carboxylate

C23H39N3O5 — CID 59373374

IUPACtert-butyl 4-[2-(2-acetyloxyethyl)-3-methyl-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]piperidine-1-carboxylate
SMILESCC(=O)OCCN1C(=O)C2(CCCN(C3CCN(C(=O)OC(C)(C)C)CC3)C2)CC1C
InChIInChI=1S/C23H39N3O5/c1-17-15-23(20(28)26(17)13-14-30-18(2)27)9-6-10-25(16-23)19-7-11-24(12-8-19)21(29)31-22(3,4)5/h17,19H,6-16H2,1-5H3
InChIKeySRCUVWABQXSDDP-UHFFFAOYSA-N
MW437.58 g/mol
LogP2.65
Rot. Bonds4

About tert-butyl 4-[2-(2-acetyloxyethyl)-3-methyl-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]piperidine-1-carboxylate

tert-butyl 4-[2-(2-acetyloxyethyl)-3-methyl-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]piperidine-1-carboxylate (PubChem CID 59373374) has the molecular formula C23H39N3O5 and a molecular weight of 437.58 g/mol. Its IUPAC name is tert-butyl 4-[2-(2-acetyloxyethyl)-3-methyl-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[2-(2-acetyloxyethyl)-3-methyl-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]piperidine-1-carboxylate
PubChem CID59373374
Molecular FormulaC23H39N3O5
Molecular Weight437.58 g/mol
Exact Mass437.29
IUPAC Nametert-butyl 4-[2-(2-acetyloxyethyl)-3-methyl-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]piperidine-1-carboxylate
SMILESCC(=O)OCCN1C(=O)C2(CCCN(C3CCN(C(=O)OC(C)(C)C)CC3)C2)CC1C
InChIInChI=1S/C23H39N3O5/c1-17-15-23(20(28)26(17)13-14-30-18(2)27)9-6-10-25(16-23)19-7-11-24(12-8-19)21(29)31-22(3,4)5/h17,19H,6-16H2,1-5H3
InChIKeySRCUVWABQXSDDP-UHFFFAOYSA-N
XLogP2.65
TPSA79.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.58
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze tert-butyl 4-[2-(2-acetyloxyethyl)-3-methyl-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]piperidine-1-carboxylate with MolForge

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Related Compounds

tert-butyl 4-(2,3-diethyl-4-oxo-1,3,9-triazaspiro[4.5]dec-1-en-9-yl)piperidine-1-carboxylate
CID 59373498
tert-butyl 4-(3-hydroxy-3-methylazetidin-1-yl)piperidine-1-carboxylate
CID 163284820
9-[1-(2-amino-7-oxo-5,6-dihydro-4H-1-benzothiophene-3-carbonyl)piperidin-4-yl]-2-ethyl-3-methyl-2,9-diazaspiro[4.5]decan-1-one
CID 173144261
tert-butyl 4-[(3S,5R)-3,4,5-trimethylpiperazin-1-yl]piperidine-1-carboxylate
CID 146498263
tert-butyl 4-(4,4-dimethylpiperidin-1-yl)piperidine-1-carboxylate
CID 22179860
tert-butyl 4-(3-methylpiperidin-1-yl)azepane-1-carboxylate
CID 165468989
tert-butyl 4-[(3R)-3-methylpiperidin-1-yl]azepane-1-carboxylate
CID 156735138
tert-butyl 9-(azetidin-1-yl)-3-azaspiro[5.5]undecane-3-carboxylate
CID 66850495
tert-butyl 7-cyclopropyl-2,7-diazaspiro[4.4]nonane-2-carboxylate
CID 90426746
tert-butyl 4-(4-hydroxy-4-methylpiperidin-1-yl)piperidine-1-carboxylate
CID 67298757
tert-butyl 2-ethyl-3-methyl-1-oxo-6-oxa-2,9-diazaspiro[4.5]decane-9-carboxylate
CID 59373313
tert-butyl 2-ethyl-4-methyl-1-oxo-2,9-diazaspiro[4.5]decane-9-carboxylate
CID 59373297

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[2-(2-acetyloxyethyl)-3-methyl-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[2-(2-acetyloxyethyl)-3-methyl-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]piperidine-1-carboxylate (CID 59373374) is tert-butyl 4-[2-(2-acetyloxyethyl)-3-methyl-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[2-(2-acetyloxyethyl)-3-methyl-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[2-(2-acetyloxyethyl)-3-methyl-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]piperidine-1-carboxylate is CC(=O)OCCN1C(=O)C2(CCCN(C3CCN(C(=O)OC(C)(C)C)CC3)C2)CC1C.
What is the InChIKey of tert-butyl 4-[2-(2-acetyloxyethyl)-3-methyl-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]piperidine-1-carboxylate?
The InChIKey is SRCUVWABQXSDDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H39N3O5/c1-17-15-23(20(28)26(17)13-14-30-18(2)27)9-6-10-25(16-23)19-7-11-24(12-8-19)21(29)31-22(3,4)5/h17,19H,6-16H2,1-5H3.
What are the key properties of tert-butyl 4-[2-(2-acetyloxyethyl)-3-methyl-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]piperidine-1-carboxylate?
tert-butyl 4-[2-(2-acetyloxyethyl)-3-methyl-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]piperidine-1-carboxylate has a molecular weight of 437.58 g/mol, XLogP of 2.65, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[2-(2-acetyloxyethyl)-3-methyl-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]piperidine-1-carboxylate is sourced from PubChem (CID 59373374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).