1-[(4-chlorophenyl)methyl]-7-(oxan-4-yl)-1,7-diazaspiro[4.4]nonan-6-one

C19H25ClN2O2 — CID 24759744

IUPAC1-[(4-chlorophenyl)methyl]-7-(oxan-4-yl)-1,7-diazaspiro[4.4]nonan-6-one
SMILESO=C1N(C2CCOCC2)CCC12CCCN2Cc1ccc(Cl)cc1
InChIInChI=1S/C19H25ClN2O2/c20-16-4-2-15(3-5-16)14-21-10-1-8-19(21)9-11-22(18(19)23)17-6-12-24-13-7-17/h2-5,17H,1,6-14H2
InChIKeyKHTDYESVXLKCLX-UHFFFAOYSA-N
MW348.87 g/mol
LogP3.09
Rot. Bonds3

About 1-[(4-chlorophenyl)methyl]-7-(oxan-4-yl)-1,7-diazaspiro[4.4]nonan-6-one

1-[(4-chlorophenyl)methyl]-7-(oxan-4-yl)-1,7-diazaspiro[4.4]nonan-6-one (PubChem CID 24759744) has the molecular formula C19H25ClN2O2 and a molecular weight of 348.87 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-7-(oxan-4-yl)-1,7-diazaspiro[4.4]nonan-6-one.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]-7-(oxan-4-yl)-1,7-diazaspiro[4.4]nonan-6-one
PubChem CID24759744
Molecular FormulaC19H25ClN2O2
Molecular Weight348.87 g/mol
Exact Mass348.16
IUPAC Name1-[(4-chlorophenyl)methyl]-7-(oxan-4-yl)-1,7-diazaspiro[4.4]nonan-6-one
SMILESO=C1N(C2CCOCC2)CCC12CCCN2Cc1ccc(Cl)cc1
InChIInChI=1S/C19H25ClN2O2/c20-16-4-2-15(3-5-16)14-21-10-1-8-19(21)9-11-22(18(19)23)17-6-12-24-13-7-17/h2-5,17H,1,6-14H2
InChIKeyKHTDYESVXLKCLX-UHFFFAOYSA-N
XLogP3.09
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.87
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[4-(4-Chlorobenzyl)piperazin-1-yl]-1-methylpyrrolidine-2,5-dione
CID 580799
1-[(4-Chlorophenyl)methyl]-7-cyclohexyl-1,7-diazaspiro[4.4]nonan-6-one
CID 24758866
(3R)-1-(4-chlorobenzyl)-7-cyclohexyl-3-hydroxy-1,7-diazaspiro[4.4]nonan-6-one
CID 24759088
1-[(4-Chlorophenyl)methyl]-7-(4-hydroxycyclohexyl)-1,7-diazaspiro[4.4]nonan-6-one
CID 24759743
1-[(4-Chlorophenyl)methyl]-7-cycloheptyl-1,7-diazaspiro[4.4]nonan-6-one
CID 67355110
1-[(4-Chlorophenyl)methyl]-7-cyclopentyl-1,7-diazaspiro[4.4]nonan-6-one
CID 67356162
(3R,5S)-1-[(4-chlorophenyl)methyl]-7-cyclohexyl-3-hydroxy-1,7-diazaspiro[4.4]nonan-6-one
CID 168270670
(5S)-1-[(4-chlorophenyl)methyl]-7-cyclohexyl-3-hydroxy-3-methyl-1,7-diazaspiro[4.4]nonan-6-one
CID 168273139
(3S,5S)-1-[(4-chlorophenyl)methyl]-7-cyclohexyl-3-fluoro-1,7-diazaspiro[4.4]nonan-6-one
CID 168284089
(3S,5R)-1-[(4-chlorophenyl)methyl]-7-cyclohexyl-3-hydroxy-1,7-diazaspiro[4.4]nonan-6-one
CID 168280620
1-[(2-Chlorophenyl)methyl]-5-{1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl}pyrrolidin-2-one
CID 4573988
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Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methyl]-7-(oxan-4-yl)-1,7-diazaspiro[4.4]nonan-6-one?
The IUPAC name of 1-[(4-chlorophenyl)methyl]-7-(oxan-4-yl)-1,7-diazaspiro[4.4]nonan-6-one (CID 24759744) is 1-[(4-chlorophenyl)methyl]-7-(oxan-4-yl)-1,7-diazaspiro[4.4]nonan-6-one.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]-7-(oxan-4-yl)-1,7-diazaspiro[4.4]nonan-6-one?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]-7-(oxan-4-yl)-1,7-diazaspiro[4.4]nonan-6-one is O=C1N(C2CCOCC2)CCC12CCCN2Cc1ccc(Cl)cc1.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]-7-(oxan-4-yl)-1,7-diazaspiro[4.4]nonan-6-one?
The InChIKey is KHTDYESVXLKCLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25ClN2O2/c20-16-4-2-15(3-5-16)14-21-10-1-8-19(21)9-11-22(18(19)23)17-6-12-24-13-7-17/h2-5,17H,1,6-14H2.
What are the key properties of 1-[(4-chlorophenyl)methyl]-7-(oxan-4-yl)-1,7-diazaspiro[4.4]nonan-6-one?
1-[(4-chlorophenyl)methyl]-7-(oxan-4-yl)-1,7-diazaspiro[4.4]nonan-6-one has a molecular weight of 348.87 g/mol, XLogP of 3.09, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methyl]-7-(oxan-4-yl)-1,7-diazaspiro[4.4]nonan-6-one is sourced from PubChem (CID 24759744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).