1-(2,8-diazaspiro[5.5]undecan-2-yl)-2-(2,4-dichlorophenoxy)propan-1-one

C18H24Cl2N2O2 — CID 82037973

IUPAC1-(2,8-diazaspiro[5.5]undecan-2-yl)-2-(2,4-dichlorophenoxy)propan-1-one
SMILESCC(Oc1ccc(Cl)cc1Cl)C(=O)N1CCCC2(CCCNC2)C1
InChIInChI=1S/C18H24Cl2N2O2/c1-13(24-16-5-4-14(19)10-15(16)20)17(23)22-9-3-7-18(12-22)6-2-8-21-11-18/h4-5,10,13,21H,2-3,6-9,11-12H2,1H3
InChIKeyWLZZPNKHXNQBGM-UHFFFAOYSA-N
MW371.31 g/mol
LogP3.75
Rot. Bonds3

About 1-(2,8-diazaspiro[5.5]undecan-2-yl)-2-(2,4-dichlorophenoxy)propan-1-one

1-(2,8-diazaspiro[5.5]undecan-2-yl)-2-(2,4-dichlorophenoxy)propan-1-one (PubChem CID 82037973) has the molecular formula C18H24Cl2N2O2 and a molecular weight of 371.31 g/mol. Its IUPAC name is 1-(2,8-diazaspiro[5.5]undecan-2-yl)-2-(2,4-dichlorophenoxy)propan-1-one.

Molecular Properties

Compound Name1-(2,8-diazaspiro[5.5]undecan-2-yl)-2-(2,4-dichlorophenoxy)propan-1-one
PubChem CID82037973
Molecular FormulaC18H24Cl2N2O2
Molecular Weight371.31 g/mol
Exact Mass370.12
IUPAC Name1-(2,8-diazaspiro[5.5]undecan-2-yl)-2-(2,4-dichlorophenoxy)propan-1-one
SMILESCC(Oc1ccc(Cl)cc1Cl)C(=O)N1CCCC2(CCCNC2)C1
InChIInChI=1S/C18H24Cl2N2O2/c1-13(24-16-5-4-14(19)10-15(16)20)17(23)22-9-3-7-18(12-22)6-2-8-21-11-18/h4-5,10,13,21H,2-3,6-9,11-12H2,1H3
InChIKeyWLZZPNKHXNQBGM-UHFFFAOYSA-N
XLogP3.75
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.31
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,7-diazaspiro[4.4]nonan-2-yl)-2-(2,4-dichlorophenoxy)propan-1-one
CID 82038014
1-(1,4-diazepan-1-yl)-2-(2,4-dichlorophenoxy)propan-1-one;hydrochloride
CID 119414831
2-(2,4-dichlorophenoxy)-1-(3-hydroxy-3-methylpyrrolidin-1-yl)propan-1-one
CID 103727134
1-[2-(2,4-dichlorophenoxy)propanoyl]-3-fluoropyrrolidine-3-carboxylic acid
CID 119258259
2-(2,4-dichlorophenoxy)-1-(3-methylpiperidin-1-yl)propan-1-one
CID 4252748
(5-chloro-2-fluorophenyl)-(2,8-diazaspiro[5.5]undecan-2-yl)methanone
CID 102849841
1-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-2-(2,4-dichlorophenoxy)propan-1-one
CID 120659100
8-[2-(2,4-dichlorophenoxy)propanoyl]-3-propan-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 110494011
2-(2,4-dichlorophenoxy)-1-(3-pyrrolidin-1-ylpiperidin-1-yl)propan-1-one
CID 60559245
2-(2,4-dichlorophenoxy)-1-[(3R)-3-hydroxypyrrolidin-1-yl]propan-1-one
CID 66262423
methyl 1-[2-(2,4-dichlorophenoxy)propanoyl]piperidine-3-carboxylate
CID 108731321
2,8-diazaspiro[5.5]undecan-2-yl-(2,6-dichlorophenyl)methanone
CID 102849563

Frequently Asked Questions

What is the IUPAC name of 1-(2,8-diazaspiro[5.5]undecan-2-yl)-2-(2,4-dichlorophenoxy)propan-1-one?
The IUPAC name of 1-(2,8-diazaspiro[5.5]undecan-2-yl)-2-(2,4-dichlorophenoxy)propan-1-one (CID 82037973) is 1-(2,8-diazaspiro[5.5]undecan-2-yl)-2-(2,4-dichlorophenoxy)propan-1-one.
What is the SMILES notation for 1-(2,8-diazaspiro[5.5]undecan-2-yl)-2-(2,4-dichlorophenoxy)propan-1-one?
The canonical SMILES for 1-(2,8-diazaspiro[5.5]undecan-2-yl)-2-(2,4-dichlorophenoxy)propan-1-one is CC(Oc1ccc(Cl)cc1Cl)C(=O)N1CCCC2(CCCNC2)C1.
What is the InChIKey of 1-(2,8-diazaspiro[5.5]undecan-2-yl)-2-(2,4-dichlorophenoxy)propan-1-one?
The InChIKey is WLZZPNKHXNQBGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24Cl2N2O2/c1-13(24-16-5-4-14(19)10-15(16)20)17(23)22-9-3-7-18(12-22)6-2-8-21-11-18/h4-5,10,13,21H,2-3,6-9,11-12H2,1H3.
What are the key properties of 1-(2,8-diazaspiro[5.5]undecan-2-yl)-2-(2,4-dichlorophenoxy)propan-1-one?
1-(2,8-diazaspiro[5.5]undecan-2-yl)-2-(2,4-dichlorophenoxy)propan-1-one has a molecular weight of 371.31 g/mol, XLogP of 3.75, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,8-diazaspiro[5.5]undecan-2-yl)-2-(2,4-dichlorophenoxy)propan-1-one is sourced from PubChem (CID 82037973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).