(6S)-8-benzyl-6-methyl-2-oxa-5,8-diazaspiro[3.5]nonane;8-benzyl-2-oxa-5,8-diazaspiro[3.5]nonane

C27H38N4O2 — CID 171828702

IUPAC(6S)-8-benzyl-6-methyl-2-oxa-5,8-diazaspiro[3.5]nonane;8-benzyl-2-oxa-5,8-diazaspiro[3.5]nonane
SMILESC[C@H]1CN(Cc2ccccc2)CC2(COC2)N1.c1ccc(CN2CCNC3(COC3)C2)cc1
InChIInChI=1S/C14H20N2O.C13H18N2O/c1-12-7-16(8-13-5-3-2-4-6-13)9-14(15-12)10-17-11-14;1-2-4-12(5-3-1)8-15-7-6-14-13(9-15)10-16-11-13/h2-6,12,15H,7-11H2,1H3;1-5,14H,6-11H2/t12-;/m0./s1
InChIKeyWUJBPCVKQFNNCE-YDALLXLXSA-N
MW450.63 g/mol
LogP2.11
Rot. Bonds4

About (6S)-8-benzyl-6-methyl-2-oxa-5,8-diazaspiro[3.5]nonane;8-benzyl-2-oxa-5,8-diazaspiro[3.5]nonane

(6S)-8-benzyl-6-methyl-2-oxa-5,8-diazaspiro[3.5]nonane;8-benzyl-2-oxa-5,8-diazaspiro[3.5]nonane (PubChem CID 171828702) has the molecular formula C27H38N4O2 and a molecular weight of 450.63 g/mol. Its IUPAC name is (6S)-8-benzyl-6-methyl-2-oxa-5,8-diazaspiro[3.5]nonane;8-benzyl-2-oxa-5,8-diazaspiro[3.5]nonane.

Molecular Properties

Compound Name(6S)-8-benzyl-6-methyl-2-oxa-5,8-diazaspiro[3.5]nonane;8-benzyl-2-oxa-5,8-diazaspiro[3.5]nonane
PubChem CID171828702
Molecular FormulaC27H38N4O2
Molecular Weight450.63 g/mol
Exact Mass450.30
IUPAC Name(6S)-8-benzyl-6-methyl-2-oxa-5,8-diazaspiro[3.5]nonane;8-benzyl-2-oxa-5,8-diazaspiro[3.5]nonane
SMILESC[C@H]1CN(Cc2ccccc2)CC2(COC2)N1.c1ccc(CN2CCNC3(COC3)C2)cc1
InChIInChI=1S/C14H20N2O.C13H18N2O/c1-12-7-16(8-13-5-3-2-4-6-13)9-14(15-12)10-17-11-14;1-2-4-12(5-3-1)8-15-7-6-14-13(9-15)10-16-11-13/h2-6,12,15H,7-11H2,1H3;1-5,14H,6-11H2/t12-;/m0./s1
InChIKeyWUJBPCVKQFNNCE-YDALLXLXSA-N
XLogP2.11
TPSA49.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.63
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

9-benzyl-2-methyl-4-oxa-1,9-diazaspiro[5.5]undecane
CID 83488700
CID 174065936
CID 174065936
(3S)-1-benzyl-3-methylpiperazine;hydrochloride
CID 52982949
1-benzyl-3-methylpiperazine;ethane
CID 166543639
9-benzyl-4-oxa-1,9-diazaspiro[5.5]undecane
CID 58299624
(5R)-9-benzyl-1,9-diazaspiro[4.5]decane
CID 86332339
7-benzyl-4,7-diazaspiro[2.5]octane;7-benzyl-6-ethyl-4,7-diazaspiro[2.5]octane;ethane
CID 142410738
4-[(3-methylphenyl)methyl]-1,4-diazaspiro[5.5]undecane
CID 64831883
(1S,6R)-3-benzyl-1-methyl-7-oxa-3-azabicyclo[4.1.0]heptane
CID 24861877
2-benzyl-2,6-diazaspiro[4.5]decan-9-one
CID 22291215
(5S)-5-azido-7-benzyl-2-oxa-7-azaspiro[3.4]octane
CID 97305426
3-methyl-1-[(3-methylphenyl)methyl]-3-phenylpiperazine
CID 64832083

Frequently Asked Questions

What is the IUPAC name of (6S)-8-benzyl-6-methyl-2-oxa-5,8-diazaspiro[3.5]nonane;8-benzyl-2-oxa-5,8-diazaspiro[3.5]nonane?
The IUPAC name of (6S)-8-benzyl-6-methyl-2-oxa-5,8-diazaspiro[3.5]nonane;8-benzyl-2-oxa-5,8-diazaspiro[3.5]nonane (CID 171828702) is (6S)-8-benzyl-6-methyl-2-oxa-5,8-diazaspiro[3.5]nonane;8-benzyl-2-oxa-5,8-diazaspiro[3.5]nonane.
What is the SMILES notation for (6S)-8-benzyl-6-methyl-2-oxa-5,8-diazaspiro[3.5]nonane;8-benzyl-2-oxa-5,8-diazaspiro[3.5]nonane?
The canonical SMILES for (6S)-8-benzyl-6-methyl-2-oxa-5,8-diazaspiro[3.5]nonane;8-benzyl-2-oxa-5,8-diazaspiro[3.5]nonane is C[C@H]1CN(Cc2ccccc2)CC2(COC2)N1.c1ccc(CN2CCNC3(COC3)C2)cc1.
What is the InChIKey of (6S)-8-benzyl-6-methyl-2-oxa-5,8-diazaspiro[3.5]nonane;8-benzyl-2-oxa-5,8-diazaspiro[3.5]nonane?
The InChIKey is WUJBPCVKQFNNCE-YDALLXLXSA-N. The full InChI is InChI=1S/C14H20N2O.C13H18N2O/c1-12-7-16(8-13-5-3-2-4-6-13)9-14(15-12)10-17-11-14;1-2-4-12(5-3-1)8-15-7-6-14-13(9-15)10-16-11-13/h2-6,12,15H,7-11H2,1H3;1-5,14H,6-11H2/t12-;/m0./s1.
What are the key properties of (6S)-8-benzyl-6-methyl-2-oxa-5,8-diazaspiro[3.5]nonane;8-benzyl-2-oxa-5,8-diazaspiro[3.5]nonane?
(6S)-8-benzyl-6-methyl-2-oxa-5,8-diazaspiro[3.5]nonane;8-benzyl-2-oxa-5,8-diazaspiro[3.5]nonane has a molecular weight of 450.63 g/mol, XLogP of 2.11, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-8-benzyl-6-methyl-2-oxa-5,8-diazaspiro[3.5]nonane;8-benzyl-2-oxa-5,8-diazaspiro[3.5]nonane is sourced from PubChem (CID 171828702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).