(6R)-8-benzyl-4-methyl-1-oxa-4,8-diazaspiro[5.5]undecane

C16H24N2O — CID 95043156

IUPAC(6R)-8-benzyl-4-methyl-1-oxa-4,8-diazaspiro[5.5]undecane
SMILESCN1CCO[C@]2(CCCN(Cc3ccccc3)C2)C1
InChIInChI=1S/C16H24N2O/c1-17-10-11-19-16(13-17)8-5-9-18(14-16)12-15-6-3-2-4-7-15/h2-4,6-7H,5,8-14H2,1H3/t16-/m1/s1
InChIKeyKBXKOPPVQNWHOL-MRXNPFEDSA-N
MW260.38 g/mol
LogP1.98
Rot. Bonds2

About (6R)-8-benzyl-4-methyl-1-oxa-4,8-diazaspiro[5.5]undecane

(6R)-8-benzyl-4-methyl-1-oxa-4,8-diazaspiro[5.5]undecane (PubChem CID 95043156) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is (6R)-8-benzyl-4-methyl-1-oxa-4,8-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name(6R)-8-benzyl-4-methyl-1-oxa-4,8-diazaspiro[5.5]undecane
PubChem CID95043156
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name(6R)-8-benzyl-4-methyl-1-oxa-4,8-diazaspiro[5.5]undecane
SMILESCN1CCO[C@]2(CCCN(Cc3ccccc3)C2)C1
InChIInChI=1S/C16H24N2O/c1-17-10-11-19-16(13-17)8-5-9-18(14-16)12-15-6-3-2-4-7-15/h2-4,6-7H,5,8-14H2,1H3/t16-/m1/s1
InChIKeyKBXKOPPVQNWHOL-MRXNPFEDSA-N
XLogP1.98
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

8-[(3-methoxyphenyl)methyl]-4-methyl-1-oxa-4,8-diazaspiro[5.5]undecane
CID 134077366
(3S)-7-benzyl-1-oxa-7-azaspiro[2.5]octane
CID 92976100
2-benzyl-6-oxa-2-azaspiro[4.5]decane
CID 82390526
1-[(6R)-4-methyl-1-oxa-4,8-diazaspiro[5.5]undecan-8-yl]-2-phenylethanone
CID 97449072
8-benzyl-1-oxa-8-azaspiro[5.5]undecan-4-ol
CID 132941698
(3S)-1-benzyl-3-bromo-3-methylpiperidine
CID 97176093
4-(pyridin-4-ylmethyl)-8-pyrimidin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane
CID 134072499
4-benzyl-8-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecane
CID 167813222
9-[(1-benzylpyrrolidin-3-yl)methyl]-6-oxa-9-azaspiro[4.5]decane
CID 91830355
1'-benzylspiro[3H-1-benzofuran-2,3'-piperidine]
CID 19045403
4-benzyl-9-(thiophen-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecane
CID 97372231
(6S)-4-[(4-fluorophenyl)methyl]-8-pyrimidin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane
CID 97396493

Frequently Asked Questions

What is the IUPAC name of (6R)-8-benzyl-4-methyl-1-oxa-4,8-diazaspiro[5.5]undecane?
The IUPAC name of (6R)-8-benzyl-4-methyl-1-oxa-4,8-diazaspiro[5.5]undecane (CID 95043156) is (6R)-8-benzyl-4-methyl-1-oxa-4,8-diazaspiro[5.5]undecane.
What is the SMILES notation for (6R)-8-benzyl-4-methyl-1-oxa-4,8-diazaspiro[5.5]undecane?
The canonical SMILES for (6R)-8-benzyl-4-methyl-1-oxa-4,8-diazaspiro[5.5]undecane is CN1CCO[C@]2(CCCN(Cc3ccccc3)C2)C1.
What is the InChIKey of (6R)-8-benzyl-4-methyl-1-oxa-4,8-diazaspiro[5.5]undecane?
The InChIKey is KBXKOPPVQNWHOL-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H24N2O/c1-17-10-11-19-16(13-17)8-5-9-18(14-16)12-15-6-3-2-4-7-15/h2-4,6-7H,5,8-14H2,1H3/t16-/m1/s1.
What are the key properties of (6R)-8-benzyl-4-methyl-1-oxa-4,8-diazaspiro[5.5]undecane?
(6R)-8-benzyl-4-methyl-1-oxa-4,8-diazaspiro[5.5]undecane has a molecular weight of 260.38 g/mol, XLogP of 1.98, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-8-benzyl-4-methyl-1-oxa-4,8-diazaspiro[5.5]undecane is sourced from PubChem (CID 95043156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).