(2-amino-5-chlorophenyl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone

C14H17ClN2O3 — CID 78983632

IUPAC(2-amino-5-chlorophenyl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
SMILESNc1ccc(Cl)cc1C(=O)N1CCC2(CC1)OCCO2
InChIInChI=1S/C14H17ClN2O3/c15-10-1-2-12(16)11(9-10)13(18)17-5-3-14(4-6-17)19-7-8-20-14/h1-2,9H,3-8,16H2
InChIKeyYGTGYBWQORVUSY-UHFFFAOYSA-N
MW296.75 g/mol
LogP1.90
Rot. Bonds1

About (2-amino-5-chlorophenyl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone

(2-amino-5-chlorophenyl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone (PubChem CID 78983632) has the molecular formula C14H17ClN2O3 and a molecular weight of 296.75 g/mol. Its IUPAC name is (2-amino-5-chlorophenyl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone.

Molecular Properties

Compound Name(2-amino-5-chlorophenyl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
PubChem CID78983632
Molecular FormulaC14H17ClN2O3
Molecular Weight296.75 g/mol
Exact Mass296.09
IUPAC Name(2-amino-5-chlorophenyl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
SMILESNc1ccc(Cl)cc1C(=O)N1CCC2(CC1)OCCO2
InChIInChI=1S/C14H17ClN2O3/c15-10-1-2-12(16)11(9-10)13(18)17-5-3-14(4-6-17)19-7-8-20-14/h1-2,9H,3-8,16H2
InChIKeyYGTGYBWQORVUSY-UHFFFAOYSA-N
XLogP1.90
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.75
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

(2-amino-5-chlorophenyl)-morpholin-4-ylmethanone
CID 16776415
(4-amino-3-methylphenyl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
CID 78983514
[4-chloro-2-(tetrazol-1-yl)phenyl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
CID 28935033
(2-amino-5-chlorophenyl)-(4-methylpiperidin-1-yl)methanone
CID 16772124
(3,5-dichloro-2-methoxyphenyl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
CID 110763055
(6-chloro-2H-chromen-3-yl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
CID 134005447
(2-amino-5-chlorophenyl)-[4-(cyclopropylmethyl)piperazin-1-yl]methanone
CID 61108944
(5-chloro-2-pyridinyl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
CID 78995303
(5-bromo-2-chloro-3-pyridinyl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
CID 78990925
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(2,4,5-trimethoxyphenyl)methanone
CID 17250139
1-(2-amino-5-chlorobenzoyl)-N,N-dimethylpiperidine-4-carboxamide
CID 61106212
(2-amino-5-chlorophenyl)-[4-(diethylamino)piperidin-1-yl]methanone
CID 61115199

Frequently Asked Questions

What is the IUPAC name of (2-amino-5-chlorophenyl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone?
The IUPAC name of (2-amino-5-chlorophenyl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone (CID 78983632) is (2-amino-5-chlorophenyl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone.
What is the SMILES notation for (2-amino-5-chlorophenyl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone?
The canonical SMILES for (2-amino-5-chlorophenyl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone is Nc1ccc(Cl)cc1C(=O)N1CCC2(CC1)OCCO2.
What is the InChIKey of (2-amino-5-chlorophenyl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone?
The InChIKey is YGTGYBWQORVUSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O3/c15-10-1-2-12(16)11(9-10)13(18)17-5-3-14(4-6-17)19-7-8-20-14/h1-2,9H,3-8,16H2.
What are the key properties of (2-amino-5-chlorophenyl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone?
(2-amino-5-chlorophenyl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone has a molecular weight of 296.75 g/mol, XLogP of 1.90, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-5-chlorophenyl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone is sourced from PubChem (CID 78983632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).