phenyl (5S)-2-benzyl-2,7-diazaspiro[4.5]decane-7-carboxylate

C22H26N2O2 — CID 3232751

IUPACphenyl (5S)-2-benzyl-2,7-diazaspiro[4.5]decane-7-carboxylate
SMILESO=C(Oc1ccccc1)N1CCC[C@@]2(CCN(Cc3ccccc3)C2)C1
InChIInChI=1S/C22H26N2O2/c25-21(26-20-10-5-2-6-11-20)24-14-7-12-22(18-24)13-15-23(17-22)16-19-8-3-1-4-9-19/h1-6,8-11H,7,12-18H2/t22-/m0/s1
InChIKeyKRXJJHWWPVEBPR-QFIPXVFZSA-N
MW350.46 g/mol
LogP4.17
Rot. Bonds3

About phenyl (5S)-2-benzyl-2,7-diazaspiro[4.5]decane-7-carboxylate

phenyl (5S)-2-benzyl-2,7-diazaspiro[4.5]decane-7-carboxylate (PubChem CID 3232751) has the molecular formula C22H26N2O2 and a molecular weight of 350.46 g/mol. Its IUPAC name is phenyl (5S)-2-benzyl-2,7-diazaspiro[4.5]decane-7-carboxylate.

Molecular Properties

Compound Namephenyl (5S)-2-benzyl-2,7-diazaspiro[4.5]decane-7-carboxylate
PubChem CID3232751
Molecular FormulaC22H26N2O2
Molecular Weight350.46 g/mol
Exact Mass350.20
IUPAC Namephenyl (5S)-2-benzyl-2,7-diazaspiro[4.5]decane-7-carboxylate
SMILESO=C(Oc1ccccc1)N1CCC[C@@]2(CCN(Cc3ccccc3)C2)C1
InChIInChI=1S/C22H26N2O2/c25-21(26-20-10-5-2-6-11-20)24-14-7-12-22(18-24)13-15-23(17-22)16-19-8-3-1-4-9-19/h1-6,8-11H,7,12-18H2/t22-/m0/s1
InChIKeyKRXJJHWWPVEBPR-QFIPXVFZSA-N
XLogP4.17
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl (5R)-2-benzyl-2,7-diazaspiro[4.5]decane-7-carboxylate
CID 86326943
1-[(5S)-2-benzyl-2,7-diazaspiro[4.5]decan-7-yl]-2-methoxyethanone
CID 3233949
phenyl 2-(pyridin-4-ylmethyl)-2,7-diazaspiro[3.5]nonane-7-carboxylate
CID 3235523
phenyl (5S)-2-pyrimidin-2-yl-2,7-diazaspiro[4.5]decane-7-carboxylate
CID 3234058
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
1-[2-[(2-aminopyrimidin-5-yl)methyl]-2,7-diazaspiro[4.5]decan-7-yl]-2-phenoxyethanone
CID 56753797
[(6S)-8-benzyl-2,8-diazaspiro[5.5]undecan-2-yl]-(4-hydroxycyclohexyl)methanone
CID 98287421
2-[2-(9-benzyl-2,9-diazaspiro[4.5]decan-2-yl)-2-oxoethoxy]acetic acid;2,2,2-trifluoroacetic acid
CID 166240208
(5S)-2-benzyl-7-methylsulfonyl-2,7-diazaspiro[4.5]decane
CID 3233118
[(5S)-9-[(3-methoxyphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-pyrrolidin-1-ylmethanone
CID 97482755
(7-benzyl-2,7-diazaspiro[4.4]nonan-2-yl)-spiro[2.3]hexan-5-ylmethanone
CID 138035435

Frequently Asked Questions

What is the IUPAC name of phenyl (5S)-2-benzyl-2,7-diazaspiro[4.5]decane-7-carboxylate?
The IUPAC name of phenyl (5S)-2-benzyl-2,7-diazaspiro[4.5]decane-7-carboxylate (CID 3232751) is phenyl (5S)-2-benzyl-2,7-diazaspiro[4.5]decane-7-carboxylate.
What is the SMILES notation for phenyl (5S)-2-benzyl-2,7-diazaspiro[4.5]decane-7-carboxylate?
The canonical SMILES for phenyl (5S)-2-benzyl-2,7-diazaspiro[4.5]decane-7-carboxylate is O=C(Oc1ccccc1)N1CCC[C@@]2(CCN(Cc3ccccc3)C2)C1.
What is the InChIKey of phenyl (5S)-2-benzyl-2,7-diazaspiro[4.5]decane-7-carboxylate?
The InChIKey is KRXJJHWWPVEBPR-QFIPXVFZSA-N. The full InChI is InChI=1S/C22H26N2O2/c25-21(26-20-10-5-2-6-11-20)24-14-7-12-22(18-24)13-15-23(17-22)16-19-8-3-1-4-9-19/h1-6,8-11H,7,12-18H2/t22-/m0/s1.
What are the key properties of phenyl (5S)-2-benzyl-2,7-diazaspiro[4.5]decane-7-carboxylate?
phenyl (5S)-2-benzyl-2,7-diazaspiro[4.5]decane-7-carboxylate has a molecular weight of 350.46 g/mol, XLogP of 4.17, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl (5S)-2-benzyl-2,7-diazaspiro[4.5]decane-7-carboxylate is sourced from PubChem (CID 3232751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).