(4-amino-3-methoxyphenyl)-(2-methyl-2,7-diazaspiro[3.5]nonan-7-yl)methanone

C16H23N3O2 — CID 118286378

IUPAC(4-amino-3-methoxyphenyl)-(2-methyl-2,7-diazaspiro[3.5]nonan-7-yl)methanone
SMILESCOc1cc(C(=O)N2CCC3(CC2)CN(C)C3)ccc1N
InChIInChI=1S/C16H23N3O2/c1-18-10-16(11-18)5-7-19(8-6-16)15(20)12-3-4-13(17)14(9-12)21-2/h3-4,9H,5-8,10-11,17H2,1-2H3
InChIKeyMGIUVJOWXLZTCC-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.45
Rot. Bonds2

About (4-amino-3-methoxyphenyl)-(2-methyl-2,7-diazaspiro[3.5]nonan-7-yl)methanone

(4-amino-3-methoxyphenyl)-(2-methyl-2,7-diazaspiro[3.5]nonan-7-yl)methanone (PubChem CID 118286378) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is (4-amino-3-methoxyphenyl)-(2-methyl-2,7-diazaspiro[3.5]nonan-7-yl)methanone.

Molecular Properties

Compound Name(4-amino-3-methoxyphenyl)-(2-methyl-2,7-diazaspiro[3.5]nonan-7-yl)methanone
PubChem CID118286378
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name(4-amino-3-methoxyphenyl)-(2-methyl-2,7-diazaspiro[3.5]nonan-7-yl)methanone
SMILESCOc1cc(C(=O)N2CCC3(CC2)CN(C)C3)ccc1N
InChIInChI=1S/C16H23N3O2/c1-18-10-16(11-18)5-7-19(8-6-16)15(20)12-3-4-13(17)14(9-12)21-2/h3-4,9H,5-8,10-11,17H2,1-2H3
InChIKeyMGIUVJOWXLZTCC-UHFFFAOYSA-N
XLogP1.45
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.45
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

(4-amino-3-methoxyphenyl)-(3,3-dimethylpiperidin-1-yl)methanone
CID 104782959
(4-amino-3-methoxyphenyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
CID 90104243
(4-amino-3-methoxyphenyl)-(4-tert-butylpiperidin-1-yl)methanone
CID 90103540
4-(4-amino-3-methoxybenzoyl)-1-methylpiperazin-2-one
CID 104782996
(4-amino-3-methoxyphenyl)-(4-propan-2-ylazepan-1-yl)methanone
CID 104782972
(3-methoxyphenyl)-(7-methyl-2,7-diazaspiro[4.4]nonan-2-yl)methanone
CID 134078666
(4-amino-3-methoxyphenyl)-(3-ethyl-4-methylpiperazin-1-yl)methanone
CID 104782923
(3,4-dimethoxyphenyl)-(4-hydroxy-4-methylazepan-1-yl)methanone
CID 107406157
3,9-diazaspiro[5.5]undecan-3-yl-(3-methoxy-4-propan-2-yloxyphenyl)methanone
CID 119047693
(4-aminophenyl)-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]methanone
CID 108934968
9-(4-amino-3-methoxyphenyl)-3,9-diazaspiro[5.5]undecane-3-carboxylic acid
CID 135305096
4-amino-3-methoxybenzoic acid;ethane
CID 91282219

Frequently Asked Questions

What is the IUPAC name of (4-amino-3-methoxyphenyl)-(2-methyl-2,7-diazaspiro[3.5]nonan-7-yl)methanone?
The IUPAC name of (4-amino-3-methoxyphenyl)-(2-methyl-2,7-diazaspiro[3.5]nonan-7-yl)methanone (CID 118286378) is (4-amino-3-methoxyphenyl)-(2-methyl-2,7-diazaspiro[3.5]nonan-7-yl)methanone.
What is the SMILES notation for (4-amino-3-methoxyphenyl)-(2-methyl-2,7-diazaspiro[3.5]nonan-7-yl)methanone?
The canonical SMILES for (4-amino-3-methoxyphenyl)-(2-methyl-2,7-diazaspiro[3.5]nonan-7-yl)methanone is COc1cc(C(=O)N2CCC3(CC2)CN(C)C3)ccc1N.
What is the InChIKey of (4-amino-3-methoxyphenyl)-(2-methyl-2,7-diazaspiro[3.5]nonan-7-yl)methanone?
The InChIKey is MGIUVJOWXLZTCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-18-10-16(11-18)5-7-19(8-6-16)15(20)12-3-4-13(17)14(9-12)21-2/h3-4,9H,5-8,10-11,17H2,1-2H3.
What are the key properties of (4-amino-3-methoxyphenyl)-(2-methyl-2,7-diazaspiro[3.5]nonan-7-yl)methanone?
(4-amino-3-methoxyphenyl)-(2-methyl-2,7-diazaspiro[3.5]nonan-7-yl)methanone has a molecular weight of 289.38 g/mol, XLogP of 1.45, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-3-methoxyphenyl)-(2-methyl-2,7-diazaspiro[3.5]nonan-7-yl)methanone is sourced from PubChem (CID 118286378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).