8-[(4-chlorophenyl)-(4-phenylmethoxyphenyl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one

C27H27ClN2O3 — CID 149431956

IUPAC8-[(4-chlorophenyl)-(4-phenylmethoxyphenyl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESO=C1NCC2(CCN(C(c3ccc(Cl)cc3)c3ccc(OCc4ccccc4)cc3)CC2)O1
InChIInChI=1S/C27H27ClN2O3/c28-23-10-6-21(7-11-23)25(30-16-14-27(15-17-30)19-29-26(31)33-27)22-8-12-24(13-9-22)32-18-20-4-2-1-3-5-20/h1-13,25H,14-19H2,(H,29,31)
InChIKeyKATQUGDIXWGIQY-UHFFFAOYSA-N
MW462.98 g/mol
LogP5.58
Rot. Bonds6

About 8-[(4-chlorophenyl)-(4-phenylmethoxyphenyl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one

8-[(4-chlorophenyl)-(4-phenylmethoxyphenyl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one (PubChem CID 149431956) has the molecular formula C27H27ClN2O3 and a molecular weight of 462.98 g/mol. Its IUPAC name is 8-[(4-chlorophenyl)-(4-phenylmethoxyphenyl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name8-[(4-chlorophenyl)-(4-phenylmethoxyphenyl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
PubChem CID149431956
Molecular FormulaC27H27ClN2O3
Molecular Weight462.98 g/mol
Exact Mass462.17
IUPAC Name8-[(4-chlorophenyl)-(4-phenylmethoxyphenyl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESO=C1NCC2(CCN(C(c3ccc(Cl)cc3)c3ccc(OCc4ccccc4)cc3)CC2)O1
InChIInChI=1S/C27H27ClN2O3/c28-23-10-6-21(7-11-23)25(30-16-14-27(15-17-30)19-29-26(31)33-27)22-8-12-24(13-9-22)32-18-20-4-2-1-3-5-20/h1-13,25H,14-19H2,(H,29,31)
InChIKeyKATQUGDIXWGIQY-UHFFFAOYSA-N
XLogP5.58
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.98
LogP ≤ 55.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

8-[2-[4-(naphthalen-2-ylmethoxy)phenyl]-2-phenylethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 149431949
1-[(4-methoxyphenyl)-(4-phenylmethoxyphenyl)methyl]piperazine
CID 3763712
1-[(2,4-dichlorophenyl)-(4-phenylmethoxyphenyl)methyl]piperazine
CID 3779919
1-[furan-2-yl-(4-phenylmethoxyphenyl)methyl]piperazine
CID 3763713
2-oxo-N-(2-phenylmethoxyphenyl)-1-oxa-3,8-diazaspiro[4.5]decane-8-carboxamide
CID 118778157
2-[bis(4-chlorophenyl)methyl]-6-oxa-2,9-diazaspiro[4.5]decan-8-one
CID 118962985
1-[(3-methylphenyl)-(4-phenylmethoxyphenyl)methyl]piperazine
CID 3765974
1-[(4-benzylphenyl)-(4-chlorophenyl)methyl]piperazine
CID 4738631
1-[(5-chlorothiophen-2-yl)-(4-phenylmethoxyphenyl)methyl]-1,4-diazepane
CID 3795026
[4-[bis(4-phenylmethoxyphenyl)methyl]piperazin-1-yl]-pyrazol-1-ylmethanone
CID 155518073
1-[(2,4-difluorophenyl)-(4-phenylmethoxyphenyl)methyl]piperazine
CID 3766274
1-[(2,4-dimethoxyphenyl)-(4-phenylmethoxyphenyl)methyl]piperazine
CID 3321312

Frequently Asked Questions

What is the IUPAC name of 8-[(4-chlorophenyl)-(4-phenylmethoxyphenyl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 8-[(4-chlorophenyl)-(4-phenylmethoxyphenyl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one (CID 149431956) is 8-[(4-chlorophenyl)-(4-phenylmethoxyphenyl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 8-[(4-chlorophenyl)-(4-phenylmethoxyphenyl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 8-[(4-chlorophenyl)-(4-phenylmethoxyphenyl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one is O=C1NCC2(CCN(C(c3ccc(Cl)cc3)c3ccc(OCc4ccccc4)cc3)CC2)O1.
What is the InChIKey of 8-[(4-chlorophenyl)-(4-phenylmethoxyphenyl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The InChIKey is KATQUGDIXWGIQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27ClN2O3/c28-23-10-6-21(7-11-23)25(30-16-14-27(15-17-30)19-29-26(31)33-27)22-8-12-24(13-9-22)32-18-20-4-2-1-3-5-20/h1-13,25H,14-19H2,(H,29,31).
What are the key properties of 8-[(4-chlorophenyl)-(4-phenylmethoxyphenyl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
8-[(4-chlorophenyl)-(4-phenylmethoxyphenyl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one has a molecular weight of 462.98 g/mol, XLogP of 5.58, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(4-chlorophenyl)-(4-phenylmethoxyphenyl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 149431956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).