(5S)-9-phenyl-2-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]-6-oxa-2,9-diazaspiro[4.5]decan-8-one

C26H27N3O3 — CID 125021048

IUPAC(5S)-9-phenyl-2-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]-6-oxa-2,9-diazaspiro[4.5]decan-8-one
SMILESO=C1CO[C@]2(CCN(Cc3cccc(OCc4ccccn4)c3)C2)CN1c1ccccc1
InChIInChI=1S/C26H27N3O3/c30-25-18-32-26(20-29(25)23-9-2-1-3-10-23)12-14-28(19-26)16-21-7-6-11-24(15-21)31-17-22-8-4-5-13-27-22/h1-11,13,15H,12,14,16-20H2/t26-/m0/s1
InChIKeyYHBSRMSGOMQNIE-SANMLTNESA-N
MW429.52 g/mol
LogP3.67
Rot. Bonds6

About (5S)-9-phenyl-2-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]-6-oxa-2,9-diazaspiro[4.5]decan-8-one

(5S)-9-phenyl-2-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]-6-oxa-2,9-diazaspiro[4.5]decan-8-one (PubChem CID 125021048) has the molecular formula C26H27N3O3 and a molecular weight of 429.52 g/mol. Its IUPAC name is (5S)-9-phenyl-2-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]-6-oxa-2,9-diazaspiro[4.5]decan-8-one.

Molecular Properties

Compound Name(5S)-9-phenyl-2-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]-6-oxa-2,9-diazaspiro[4.5]decan-8-one
PubChem CID125021048
Molecular FormulaC26H27N3O3
Molecular Weight429.52 g/mol
Exact Mass429.21
IUPAC Name(5S)-9-phenyl-2-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]-6-oxa-2,9-diazaspiro[4.5]decan-8-one
SMILESO=C1CO[C@]2(CCN(Cc3cccc(OCc4ccccn4)c3)C2)CN1c1ccccc1
InChIInChI=1S/C26H27N3O3/c30-25-18-32-26(20-29(25)23-9-2-1-3-10-23)12-14-28(19-26)16-21-7-6-11-24(15-21)31-17-22-8-4-5-13-27-22/h1-11,13,15H,12,14,16-20H2/t26-/m0/s1
InChIKeyYHBSRMSGOMQNIE-SANMLTNESA-N
XLogP3.67
TPSA54.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.52
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(5S)-3-methyl-7-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
CID 95869955
4-phenyl-9-(quinolin-6-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 155986063
4-(4-fluorophenyl)-9-(pyridin-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 155985854
2-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]-2,8-diazaspiro[4.5]decane
CID 120906669
2-[4-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]piperazin-1-yl]pyrimidine
CID 50972913
4-pyridin-3-yl-9-(pyridin-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one;bis(2,2,2-trifluoroacetic acid)
CID 171696964
9-[2-(3-hydroxyphenyl)ethyl]-4-phenyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 118562319
4-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]piperazine-2-carboxylic acid
CID 56872361
(2S)-4-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]morpholine-2-carboxylic acid
CID 125438870
(3aS,6aR)-2-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid
CID 122045263
(3aR,7aR)-2-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]-1,3,3a,4,6,7-hexahydropyrano[3,4-c]pyrrole-7a-carboxylic acid
CID 137340328
2-[(2,6-difluorophenyl)methyl]-9-(3-fluorophenyl)-6-oxa-2,9-diazaspiro[4.5]decan-8-one
CID 155986144

Frequently Asked Questions

What is the IUPAC name of (5S)-9-phenyl-2-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]-6-oxa-2,9-diazaspiro[4.5]decan-8-one?
The IUPAC name of (5S)-9-phenyl-2-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]-6-oxa-2,9-diazaspiro[4.5]decan-8-one (CID 125021048) is (5S)-9-phenyl-2-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]-6-oxa-2,9-diazaspiro[4.5]decan-8-one.
What is the SMILES notation for (5S)-9-phenyl-2-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]-6-oxa-2,9-diazaspiro[4.5]decan-8-one?
The canonical SMILES for (5S)-9-phenyl-2-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]-6-oxa-2,9-diazaspiro[4.5]decan-8-one is O=C1CO[C@]2(CCN(Cc3cccc(OCc4ccccn4)c3)C2)CN1c1ccccc1.
What is the InChIKey of (5S)-9-phenyl-2-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]-6-oxa-2,9-diazaspiro[4.5]decan-8-one?
The InChIKey is YHBSRMSGOMQNIE-SANMLTNESA-N. The full InChI is InChI=1S/C26H27N3O3/c30-25-18-32-26(20-29(25)23-9-2-1-3-10-23)12-14-28(19-26)16-21-7-6-11-24(15-21)31-17-22-8-4-5-13-27-22/h1-11,13,15H,12,14,16-20H2/t26-/m0/s1.
What are the key properties of (5S)-9-phenyl-2-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]-6-oxa-2,9-diazaspiro[4.5]decan-8-one?
(5S)-9-phenyl-2-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]-6-oxa-2,9-diazaspiro[4.5]decan-8-one has a molecular weight of 429.52 g/mol, XLogP of 3.67, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-9-phenyl-2-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]-6-oxa-2,9-diazaspiro[4.5]decan-8-one is sourced from PubChem (CID 125021048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).