tert-butyl (5R)-2-benzyl-2,7-diazaspiro[4.5]decane-7-carboxylate

C20H30N2O2 — CID 86326943

IUPACtert-butyl (5R)-2-benzyl-2,7-diazaspiro[4.5]decane-7-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC[C@]2(CCN(Cc3ccccc3)C2)C1
InChIInChI=1S/C20H30N2O2/c1-19(2,3)24-18(23)22-12-7-10-20(16-22)11-13-21(15-20)14-17-8-5-4-6-9-17/h4-6,8-9H,7,10-16H2,1-3H3/t20-/m1/s1
InChIKeyZHDQSHASPMOJOI-HXUWFJFHSA-N
MW330.47 g/mol
LogP3.91
Rot. Bonds2

About tert-butyl (5R)-2-benzyl-2,7-diazaspiro[4.5]decane-7-carboxylate

tert-butyl (5R)-2-benzyl-2,7-diazaspiro[4.5]decane-7-carboxylate (PubChem CID 86326943) has the molecular formula C20H30N2O2 and a molecular weight of 330.47 g/mol. Its IUPAC name is tert-butyl (5R)-2-benzyl-2,7-diazaspiro[4.5]decane-7-carboxylate.

Molecular Properties

Compound Nametert-butyl (5R)-2-benzyl-2,7-diazaspiro[4.5]decane-7-carboxylate
PubChem CID86326943
Molecular FormulaC20H30N2O2
Molecular Weight330.47 g/mol
Exact Mass330.23
IUPAC Nametert-butyl (5R)-2-benzyl-2,7-diazaspiro[4.5]decane-7-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC[C@]2(CCN(Cc3ccccc3)C2)C1
InChIInChI=1S/C20H30N2O2/c1-19(2,3)24-18(23)22-12-7-10-20(16-22)11-13-21(15-20)14-17-8-5-4-6-9-17/h4-6,8-9H,7,10-16H2,1-3H3/t20-/m1/s1
InChIKeyZHDQSHASPMOJOI-HXUWFJFHSA-N
XLogP3.91
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.47
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 2-benzyl-2,8-diazaspiro[3.6]decane-8-carboxylate
CID 139877676
tert-butyl 9-benzyl-2,9-diazaspiro[4.6]undecane-2-carboxylate
CID 59818863
phenyl (5S)-2-benzyl-2,7-diazaspiro[4.5]decane-7-carboxylate
CID 3232751
tert-butyl 7-[[4-(hydroxymethyl)phenyl]methyl]-2,7-diazaspiro[3.5]nonane-2-carboxylate
CID 162353689
1-[(5S)-2-benzyl-2,7-diazaspiro[4.5]decan-7-yl]-2-methoxyethanone
CID 3233949
tert-butyl N-[2-(7-benzyl-2,7-diazaspiro[4.4]nonan-2-yl)-2-oxoethyl]carbamate
CID 130269222
tert-butyl 2-benzyl-6-oxa-2,9-diazaspiro[4.5]decane-9-carboxylate
CID 23548221
3-benzyl-3,9-diazaspiro[5.5]undecane;tert-butyl 9-benzyl-3,9-diazaspiro[5.5]undecane-3-carboxylate;tert-butyl 3,9-diazaspiro[5.5]undecane-3-carboxylate
CID 159956828
tert-butyl 4-benzyl-1,4-diazepane-1-carboxylate;ethane
CID 170594815
tert-butyl (3R)-3-benzyl-3-hydroxypiperidine-1-carboxylate
CID 97114215
tert-butyl 4-benzylpiperazine-1-carboxylate;methanol
CID 143725332
tert-butyl 7-[(4-methylsulfonylphenyl)methyl]-2,7-diazaspiro[3.5]nonane-2-carboxylate
CID 162745913

Frequently Asked Questions

What is the IUPAC name of tert-butyl (5R)-2-benzyl-2,7-diazaspiro[4.5]decane-7-carboxylate?
The IUPAC name of tert-butyl (5R)-2-benzyl-2,7-diazaspiro[4.5]decane-7-carboxylate (CID 86326943) is tert-butyl (5R)-2-benzyl-2,7-diazaspiro[4.5]decane-7-carboxylate.
What is the SMILES notation for tert-butyl (5R)-2-benzyl-2,7-diazaspiro[4.5]decane-7-carboxylate?
The canonical SMILES for tert-butyl (5R)-2-benzyl-2,7-diazaspiro[4.5]decane-7-carboxylate is CC(C)(C)OC(=O)N1CCC[C@]2(CCN(Cc3ccccc3)C2)C1.
What is the InChIKey of tert-butyl (5R)-2-benzyl-2,7-diazaspiro[4.5]decane-7-carboxylate?
The InChIKey is ZHDQSHASPMOJOI-HXUWFJFHSA-N. The full InChI is InChI=1S/C20H30N2O2/c1-19(2,3)24-18(23)22-12-7-10-20(16-22)11-13-21(15-20)14-17-8-5-4-6-9-17/h4-6,8-9H,7,10-16H2,1-3H3/t20-/m1/s1.
What are the key properties of tert-butyl (5R)-2-benzyl-2,7-diazaspiro[4.5]decane-7-carboxylate?
tert-butyl (5R)-2-benzyl-2,7-diazaspiro[4.5]decane-7-carboxylate has a molecular weight of 330.47 g/mol, XLogP of 3.91, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (5R)-2-benzyl-2,7-diazaspiro[4.5]decane-7-carboxylate is sourced from PubChem (CID 86326943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).