1-[3-(4-chlorophenyl)-2-propan-2-yl-2,7-diazaspiro[3.5]nonan-7-yl]-2-phenylmethoxyethanone

C25H31ClN2O2 — CID 59686169

IUPAC1-[3-(4-chlorophenyl)-2-propan-2-yl-2,7-diazaspiro[3.5]nonan-7-yl]-2-phenylmethoxyethanone
SMILESCC(C)N1CC2(CCN(C(=O)COCc3ccccc3)CC2)C1c1ccc(Cl)cc1
InChIInChI=1S/C25H31ClN2O2/c1-19(2)28-18-25(24(28)21-8-10-22(26)11-9-21)12-14-27(15-13-25)23(29)17-30-16-20-6-4-3-5-7-20/h3-11,19,24H,12-18H2,1-2H3
InChIKeyGONRNDGKWNCMNH-UHFFFAOYSA-N
MW426.99 g/mol
LogP4.93
Rot. Bonds6

About 1-[3-(4-chlorophenyl)-2-propan-2-yl-2,7-diazaspiro[3.5]nonan-7-yl]-2-phenylmethoxyethanone

1-[3-(4-chlorophenyl)-2-propan-2-yl-2,7-diazaspiro[3.5]nonan-7-yl]-2-phenylmethoxyethanone (PubChem CID 59686169) has the molecular formula C25H31ClN2O2 and a molecular weight of 426.99 g/mol. Its IUPAC name is 1-[3-(4-chlorophenyl)-2-propan-2-yl-2,7-diazaspiro[3.5]nonan-7-yl]-2-phenylmethoxyethanone.

Molecular Properties

Compound Name1-[3-(4-chlorophenyl)-2-propan-2-yl-2,7-diazaspiro[3.5]nonan-7-yl]-2-phenylmethoxyethanone
PubChem CID59686169
Molecular FormulaC25H31ClN2O2
Molecular Weight426.99 g/mol
Exact Mass426.21
IUPAC Name1-[3-(4-chlorophenyl)-2-propan-2-yl-2,7-diazaspiro[3.5]nonan-7-yl]-2-phenylmethoxyethanone
SMILESCC(C)N1CC2(CCN(C(=O)COCc3ccccc3)CC2)C1c1ccc(Cl)cc1
InChIInChI=1S/C25H31ClN2O2/c1-19(2)28-18-25(24(28)21-8-10-22(26)11-9-21)12-14-27(15-13-25)23(29)17-30-16-20-6-4-3-5-7-20/h3-11,19,24H,12-18H2,1-2H3
InChIKeyGONRNDGKWNCMNH-UHFFFAOYSA-N
XLogP4.93
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.99
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-chlorophenyl)-2-propan-2-yl-2,7-diazaspiro[3.5]nonan-7-yl]-2-phenylmethoxyethanone?
The IUPAC name of 1-[3-(4-chlorophenyl)-2-propan-2-yl-2,7-diazaspiro[3.5]nonan-7-yl]-2-phenylmethoxyethanone (CID 59686169) is 1-[3-(4-chlorophenyl)-2-propan-2-yl-2,7-diazaspiro[3.5]nonan-7-yl]-2-phenylmethoxyethanone.
What is the SMILES notation for 1-[3-(4-chlorophenyl)-2-propan-2-yl-2,7-diazaspiro[3.5]nonan-7-yl]-2-phenylmethoxyethanone?
The canonical SMILES for 1-[3-(4-chlorophenyl)-2-propan-2-yl-2,7-diazaspiro[3.5]nonan-7-yl]-2-phenylmethoxyethanone is CC(C)N1CC2(CCN(C(=O)COCc3ccccc3)CC2)C1c1ccc(Cl)cc1.
What is the InChIKey of 1-[3-(4-chlorophenyl)-2-propan-2-yl-2,7-diazaspiro[3.5]nonan-7-yl]-2-phenylmethoxyethanone?
The InChIKey is GONRNDGKWNCMNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31ClN2O2/c1-19(2)28-18-25(24(28)21-8-10-22(26)11-9-21)12-14-27(15-13-25)23(29)17-30-16-20-6-4-3-5-7-20/h3-11,19,24H,12-18H2,1-2H3.
What are the key properties of 1-[3-(4-chlorophenyl)-2-propan-2-yl-2,7-diazaspiro[3.5]nonan-7-yl]-2-phenylmethoxyethanone?
1-[3-(4-chlorophenyl)-2-propan-2-yl-2,7-diazaspiro[3.5]nonan-7-yl]-2-phenylmethoxyethanone has a molecular weight of 426.99 g/mol, XLogP of 4.93, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-chlorophenyl)-2-propan-2-yl-2,7-diazaspiro[3.5]nonan-7-yl]-2-phenylmethoxyethanone is sourced from PubChem (CID 59686169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).