(5S)-9-[(3-methoxyphenyl)methyl]-2-(oxan-4-yl)-2,9-diazaspiro[4.5]decane

C21H32N2O2 — CID 97482743

IUPAC(5S)-9-[(3-methoxyphenyl)methyl]-2-(oxan-4-yl)-2,9-diazaspiro[4.5]decane
SMILESCOc1cccc(CN2CCC[C@]3(CCN(C4CCOCC4)C3)C2)c1
InChIInChI=1S/C21H32N2O2/c1-24-20-5-2-4-18(14-20)15-22-10-3-8-21(16-22)9-11-23(17-21)19-6-12-25-13-7-19/h2,4-5,14,19H,3,6-13,15-17H2,1H3/t21-/m0/s1
InChIKeyDOMCWLGWBUQYER-NRFANRHFSA-N
MW344.50 g/mol
LogP3.16
Rot. Bonds4

About (5S)-9-[(3-methoxyphenyl)methyl]-2-(oxan-4-yl)-2,9-diazaspiro[4.5]decane

(5S)-9-[(3-methoxyphenyl)methyl]-2-(oxan-4-yl)-2,9-diazaspiro[4.5]decane (PubChem CID 97482743) has the molecular formula C21H32N2O2 and a molecular weight of 344.50 g/mol. Its IUPAC name is (5S)-9-[(3-methoxyphenyl)methyl]-2-(oxan-4-yl)-2,9-diazaspiro[4.5]decane.

Molecular Properties

Compound Name(5S)-9-[(3-methoxyphenyl)methyl]-2-(oxan-4-yl)-2,9-diazaspiro[4.5]decane
PubChem CID97482743
Molecular FormulaC21H32N2O2
Molecular Weight344.50 g/mol
Exact Mass344.25
IUPAC Name(5S)-9-[(3-methoxyphenyl)methyl]-2-(oxan-4-yl)-2,9-diazaspiro[4.5]decane
SMILESCOc1cccc(CN2CCC[C@]3(CCN(C4CCOCC4)C3)C2)c1
InChIInChI=1S/C21H32N2O2/c1-24-20-5-2-4-18(14-20)15-22-10-3-8-21(16-22)9-11-23(17-21)19-6-12-25-13-7-19/h2,4-5,14,19H,3,6-13,15-17H2,1H3/t21-/m0/s1
InChIKeyDOMCWLGWBUQYER-NRFANRHFSA-N
XLogP3.16
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.50
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

10-[(3-methoxyphenyl)methyl]-2-(oxan-4-yl)-7-oxa-2,10-diazaspiro[4.6]undecane
CID 155876656
[(5S)-9-[(3-methoxyphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-morpholin-4-ylmethanone
CID 97482761
(5S)-10-[(3-methylphenyl)methyl]-2-(oxan-4-yl)-7-oxa-2,10-diazaspiro[4.6]undecane
CID 97472090
[(5S)-9-[(3-methoxyphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-pyrrolidin-1-ylmethanone
CID 97482755
(3-methoxyphenyl)-[(5R)-9-[(3-methoxyphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]methanone
CID 97482724
(3-methoxyphenyl)-[(5S)-9-[(3-methoxyphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]methanone
CID 97482722
(5R)-9-[(3-methoxyphenyl)methyl]-2-(4-methoxyphenyl)sulfonyl-2,9-diazaspiro[4.5]decane
CID 97482730
2-(oxan-4-yl)-9-(pyridin-2-ylmethyl)-2,9-diazaspiro[4.5]decane
CID 131652843
7-[(3-methoxyphenyl)methyl]-2-oxa-7-azaspiro[3.5]nonane
CID 97374489
(5S)-2-(4-fluorophenyl)sulfonyl-9-[(3-methoxyphenyl)methyl]-2,9-diazaspiro[4.5]decane
CID 97482676
methyl 4-[(5R)-9-[(3-methoxyphenyl)methyl]-2,9-diazaspiro[4.5]decane-2-carbonyl]benzoate
CID 25452913
1-cycloheptyl-4-[(3-methoxyphenyl)methyl]piperazine
CID 877620

Frequently Asked Questions

What is the IUPAC name of (5S)-9-[(3-methoxyphenyl)methyl]-2-(oxan-4-yl)-2,9-diazaspiro[4.5]decane?
The IUPAC name of (5S)-9-[(3-methoxyphenyl)methyl]-2-(oxan-4-yl)-2,9-diazaspiro[4.5]decane (CID 97482743) is (5S)-9-[(3-methoxyphenyl)methyl]-2-(oxan-4-yl)-2,9-diazaspiro[4.5]decane.
What is the SMILES notation for (5S)-9-[(3-methoxyphenyl)methyl]-2-(oxan-4-yl)-2,9-diazaspiro[4.5]decane?
The canonical SMILES for (5S)-9-[(3-methoxyphenyl)methyl]-2-(oxan-4-yl)-2,9-diazaspiro[4.5]decane is COc1cccc(CN2CCC[C@]3(CCN(C4CCOCC4)C3)C2)c1.
What is the InChIKey of (5S)-9-[(3-methoxyphenyl)methyl]-2-(oxan-4-yl)-2,9-diazaspiro[4.5]decane?
The InChIKey is DOMCWLGWBUQYER-NRFANRHFSA-N. The full InChI is InChI=1S/C21H32N2O2/c1-24-20-5-2-4-18(14-20)15-22-10-3-8-21(16-22)9-11-23(17-21)19-6-12-25-13-7-19/h2,4-5,14,19H,3,6-13,15-17H2,1H3/t21-/m0/s1.
What are the key properties of (5S)-9-[(3-methoxyphenyl)methyl]-2-(oxan-4-yl)-2,9-diazaspiro[4.5]decane?
(5S)-9-[(3-methoxyphenyl)methyl]-2-(oxan-4-yl)-2,9-diazaspiro[4.5]decane has a molecular weight of 344.50 g/mol, XLogP of 3.16, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-9-[(3-methoxyphenyl)methyl]-2-(oxan-4-yl)-2,9-diazaspiro[4.5]decane is sourced from PubChem (CID 97482743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).