(4-chlorophenyl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone

C14H16ClNO3 — CID 2242062

IUPAC(4-chlorophenyl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
SMILESO=C(c1ccc(Cl)cc1)N1CCC2(CC1)OCCO2
InChIInChI=1S/C14H16ClNO3/c15-12-3-1-11(2-4-12)13(17)16-7-5-14(6-8-16)18-9-10-19-14/h1-4H,5-10H2
InChIKeyUOIGPMAKWIUOBT-UHFFFAOYSA-N
MW281.74 g/mol
LogP2.32
Rot. Bonds1

About (4-chlorophenyl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone

(4-chlorophenyl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone (PubChem CID 2242062) has the molecular formula C14H16ClNO3 and a molecular weight of 281.74 g/mol. Its IUPAC name is (4-chlorophenyl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone.

Molecular Properties

Compound Name(4-chlorophenyl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
PubChem CID2242062
Molecular FormulaC14H16ClNO3
Molecular Weight281.74 g/mol
Exact Mass281.08
IUPAC Name(4-chlorophenyl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
SMILESO=C(c1ccc(Cl)cc1)N1CCC2(CC1)OCCO2
InChIInChI=1S/C14H16ClNO3/c15-12-3-1-11(2-4-12)13(17)16-7-5-14(6-8-16)18-9-10-19-14/h1-4H,5-10H2
InChIKeyUOIGPMAKWIUOBT-UHFFFAOYSA-N
XLogP2.32
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.74
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1,4-Dioxa-8-azaspiro[4.5]dec-8-yl(2-fluorophenyl)methanone
CID 1991451
8-(4-Fluorobenzoyl)-1,4-dioxa-8-azaspiro[4.5]decane
CID 2241021
N-(4-chlorobenzoyl)-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide
CID 701229
8-(2-Chloro-4-fluorobenzoyl)-1,4-dioxa-8-azaspiro[4.5]decane
CID 6467102
Ethyl 1-(4-chlorobenzoyl)piperidine-3-carboxylate
CID 2905142
N-(4-Chlorobenzoyl)morpholine
CID 225452
1-(4-Chlorobenzoyl)-3,5-dimethylpiperidine
CID 2843209
8-(5-Bromo-2-chlorobenzoyl)-1,4-dioxa-8-azaspiro[4.5]decane
CID 1247491
N-(4-chlorophenethyl)-2-ethyl-N-(1,4-dioxaspiro[4.5]decan-8-yl)benzamide
CID 44589820
(4-Chloro-phenyl)-[1,3]oxazinan-3-yl-methanone
CID 646604
(4-Chlorophenyl)-1-piperidinylmethanone
CID 225467
1,4-Dioxa-8-azaspiro[4.5]dec-8-yl(phenyl)methanone
CID 2813375

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone?
The IUPAC name of (4-chlorophenyl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone (CID 2242062) is (4-chlorophenyl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone.
What is the SMILES notation for (4-chlorophenyl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone?
The canonical SMILES for (4-chlorophenyl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone is O=C(c1ccc(Cl)cc1)N1CCC2(CC1)OCCO2.
What is the InChIKey of (4-chlorophenyl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone?
The InChIKey is UOIGPMAKWIUOBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClNO3/c15-12-3-1-11(2-4-12)13(17)16-7-5-14(6-8-16)18-9-10-19-14/h1-4H,5-10H2.
What are the key properties of (4-chlorophenyl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone?
(4-chlorophenyl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone has a molecular weight of 281.74 g/mol, XLogP of 2.32, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone is sourced from PubChem (CID 2242062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).