3-(4-chlorophenyl)-7-[[2-(pyridin-2-ylmethoxy)phenyl]methyl]-1-oxa-3,7-diazaspiro[4.4]nonan-2-one

C25H24ClN3O3 — CID 110150171

IUPAC3-(4-chlorophenyl)-7-[[2-(pyridin-2-ylmethoxy)phenyl]methyl]-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
SMILESO=C1OC2(CCN(Cc3ccccc3OCc3ccccn3)C2)CN1c1ccc(Cl)cc1
InChIInChI=1S/C25H24ClN3O3/c26-20-8-10-22(11-9-20)29-18-25(32-24(29)30)12-14-28(17-25)15-19-5-1-2-7-23(19)31-16-21-6-3-4-13-27-21/h1-11,13H,12,14-18H2
InChIKeyJZMWBBKPNOKIJX-UHFFFAOYSA-N
MW449.94 g/mol
LogP4.92
Rot. Bonds6

About 3-(4-chlorophenyl)-7-[[2-(pyridin-2-ylmethoxy)phenyl]methyl]-1-oxa-3,7-diazaspiro[4.4]nonan-2-one

3-(4-chlorophenyl)-7-[[2-(pyridin-2-ylmethoxy)phenyl]methyl]-1-oxa-3,7-diazaspiro[4.4]nonan-2-one (PubChem CID 110150171) has the molecular formula C25H24ClN3O3 and a molecular weight of 449.94 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-7-[[2-(pyridin-2-ylmethoxy)phenyl]methyl]-1-oxa-3,7-diazaspiro[4.4]nonan-2-one.

Molecular Properties

Compound Name3-(4-chlorophenyl)-7-[[2-(pyridin-2-ylmethoxy)phenyl]methyl]-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
PubChem CID110150171
Molecular FormulaC25H24ClN3O3
Molecular Weight449.94 g/mol
Exact Mass449.15
IUPAC Name3-(4-chlorophenyl)-7-[[2-(pyridin-2-ylmethoxy)phenyl]methyl]-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
SMILESO=C1OC2(CCN(Cc3ccccc3OCc3ccccn3)C2)CN1c1ccc(Cl)cc1
InChIInChI=1S/C25H24ClN3O3/c26-20-8-10-22(11-9-20)29-18-25(32-24(29)30)12-14-28(17-25)15-19-5-1-2-7-23(19)31-16-21-6-3-4-13-27-21/h1-11,13H,12,14-18H2
InChIKeyJZMWBBKPNOKIJX-UHFFFAOYSA-N
XLogP4.92
TPSA54.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.94
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(5S)-3-(4-chlorophenyl)-7-[[2-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
CID 129455940
(5S)-3-methyl-7-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
CID 95869955
3-pyridin-2-yl-1-[[2-(pyridin-2-ylmethoxy)phenyl]methyl]piperidine-3-carboxamide
CID 110149670
(5S)-9-phenyl-2-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]-6-oxa-2,9-diazaspiro[4.5]decan-8-one
CID 125021048
(5R)-3-(4-chlorophenyl)-7-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)methoxy]benzoyl]-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
CID 125021100
4-(4-fluorophenyl)-9-(pyridin-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 155985854
N-methyl-3-pyridin-2-yl-1-[[2-(pyridin-2-ylmethoxy)phenyl]methyl]piperidine-3-carboxamide
CID 110149669
3-(4-chlorophenyl)-7-[(3-pyrimidin-2-yloxyphenyl)methyl]-1,10-dioxa-3,7-diazaspiro[4.6]undecan-2-one
CID 110150328
3-(4-chlorophenyl)-7-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]-1,10-dioxa-3,7-diazaspiro[4.6]undecan-2-one
CID 110151860
9-[2-(2-methoxyphenyl)ethyl]-4-(pyridin-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecane
CID 118567758
3-(4-chlorophenyl)-9-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
CID 155986186
(5R)-9-[[2-[3-(dimethylamino)propoxy]phenyl]methyl]-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one
CID 95896895

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-7-[[2-(pyridin-2-ylmethoxy)phenyl]methyl]-1-oxa-3,7-diazaspiro[4.4]nonan-2-one?
The IUPAC name of 3-(4-chlorophenyl)-7-[[2-(pyridin-2-ylmethoxy)phenyl]methyl]-1-oxa-3,7-diazaspiro[4.4]nonan-2-one (CID 110150171) is 3-(4-chlorophenyl)-7-[[2-(pyridin-2-ylmethoxy)phenyl]methyl]-1-oxa-3,7-diazaspiro[4.4]nonan-2-one.
What is the SMILES notation for 3-(4-chlorophenyl)-7-[[2-(pyridin-2-ylmethoxy)phenyl]methyl]-1-oxa-3,7-diazaspiro[4.4]nonan-2-one?
The canonical SMILES for 3-(4-chlorophenyl)-7-[[2-(pyridin-2-ylmethoxy)phenyl]methyl]-1-oxa-3,7-diazaspiro[4.4]nonan-2-one is O=C1OC2(CCN(Cc3ccccc3OCc3ccccn3)C2)CN1c1ccc(Cl)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-7-[[2-(pyridin-2-ylmethoxy)phenyl]methyl]-1-oxa-3,7-diazaspiro[4.4]nonan-2-one?
The InChIKey is JZMWBBKPNOKIJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24ClN3O3/c26-20-8-10-22(11-9-20)29-18-25(32-24(29)30)12-14-28(17-25)15-19-5-1-2-7-23(19)31-16-21-6-3-4-13-27-21/h1-11,13H,12,14-18H2.
What are the key properties of 3-(4-chlorophenyl)-7-[[2-(pyridin-2-ylmethoxy)phenyl]methyl]-1-oxa-3,7-diazaspiro[4.4]nonan-2-one?
3-(4-chlorophenyl)-7-[[2-(pyridin-2-ylmethoxy)phenyl]methyl]-1-oxa-3,7-diazaspiro[4.4]nonan-2-one has a molecular weight of 449.94 g/mol, XLogP of 4.92, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-7-[[2-(pyridin-2-ylmethoxy)phenyl]methyl]-1-oxa-3,7-diazaspiro[4.4]nonan-2-one is sourced from PubChem (CID 110150171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).