(5-amino-2-methoxyphenyl)-(8-azaspiro[4.5]decan-8-yl)methanone

C17H24N2O2 — CID 63156948

IUPAC(5-amino-2-methoxyphenyl)-(8-azaspiro[4.5]decan-8-yl)methanone
SMILESCOc1ccc(N)cc1C(=O)N1CCC2(CCCC2)CC1
InChIInChI=1S/C17H24N2O2/c1-21-15-5-4-13(18)12-14(15)16(20)19-10-8-17(9-11-19)6-2-3-7-17/h4-5,12H,2-3,6-11,18H2,1H3
InChIKeyAMIAXCKEPOJZFK-UHFFFAOYSA-N
MW288.39 g/mol
LogP3.07
Rot. Bonds2

About (5-amino-2-methoxyphenyl)-(8-azaspiro[4.5]decan-8-yl)methanone

(5-amino-2-methoxyphenyl)-(8-azaspiro[4.5]decan-8-yl)methanone (PubChem CID 63156948) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is (5-amino-2-methoxyphenyl)-(8-azaspiro[4.5]decan-8-yl)methanone.

Molecular Properties

Compound Name(5-amino-2-methoxyphenyl)-(8-azaspiro[4.5]decan-8-yl)methanone
PubChem CID63156948
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name(5-amino-2-methoxyphenyl)-(8-azaspiro[4.5]decan-8-yl)methanone
SMILESCOc1ccc(N)cc1C(=O)N1CCC2(CCCC2)CC1
InChIInChI=1S/C17H24N2O2/c1-21-15-5-4-13(18)12-14(15)16(20)19-10-8-17(9-11-19)6-2-3-7-17/h4-5,12H,2-3,6-11,18H2,1H3
InChIKeyAMIAXCKEPOJZFK-UHFFFAOYSA-N
XLogP3.07
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(5-amino-2-fluorophenyl)-(3-azaspiro[5.5]undecan-3-yl)methanone
CID 62938056
(5-amino-2-methoxyphenyl)-(1,4-thiazepan-4-yl)methanone
CID 61418709
4-(5-amino-2-methoxybenzoyl)piperazine-1-sulfonamide
CID 61140082
(2-amino-4-methoxyphenyl)-(8-azaspiro[4.5]decan-8-yl)methanone
CID 115413231
(5-amino-2-methoxyphenyl)-(2-methyl-1,4-oxazepan-4-yl)methanone
CID 62987911
(2-methoxy-5-methylphenyl)-(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)methanone
CID 112534319
(4-hydroxy-4-methylpiperidin-1-yl)-(2-methoxy-5-nitrophenyl)methanone
CID 80701880
(5-amino-2-methoxyphenyl)-[3-(2-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 114796669
8-azaspiro[4.5]decan-8-yl-(2-fluoro-5-methylphenyl)methanone
CID 63159253
8-azaspiro[4.5]decan-8-yl-(2-fluoro-4-methylphenyl)methanone
CID 79796110
(5-amino-2-chlorophenyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone
CID 81096342
(5-tert-butyl-2-methoxyphenyl)-pyrrolidin-1-ylmethanone
CID 50882718

Frequently Asked Questions

What is the IUPAC name of (5-amino-2-methoxyphenyl)-(8-azaspiro[4.5]decan-8-yl)methanone?
The IUPAC name of (5-amino-2-methoxyphenyl)-(8-azaspiro[4.5]decan-8-yl)methanone (CID 63156948) is (5-amino-2-methoxyphenyl)-(8-azaspiro[4.5]decan-8-yl)methanone.
What is the SMILES notation for (5-amino-2-methoxyphenyl)-(8-azaspiro[4.5]decan-8-yl)methanone?
The canonical SMILES for (5-amino-2-methoxyphenyl)-(8-azaspiro[4.5]decan-8-yl)methanone is COc1ccc(N)cc1C(=O)N1CCC2(CCCC2)CC1.
What is the InChIKey of (5-amino-2-methoxyphenyl)-(8-azaspiro[4.5]decan-8-yl)methanone?
The InChIKey is AMIAXCKEPOJZFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-21-15-5-4-13(18)12-14(15)16(20)19-10-8-17(9-11-19)6-2-3-7-17/h4-5,12H,2-3,6-11,18H2,1H3.
What are the key properties of (5-amino-2-methoxyphenyl)-(8-azaspiro[4.5]decan-8-yl)methanone?
(5-amino-2-methoxyphenyl)-(8-azaspiro[4.5]decan-8-yl)methanone has a molecular weight of 288.39 g/mol, XLogP of 3.07, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-2-methoxyphenyl)-(8-azaspiro[4.5]decan-8-yl)methanone is sourced from PubChem (CID 63156948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).