4-amino-3-(8-azaspiro[4.5]decan-8-yl)benzamide

C16H23N3O — CID 63356536

IUPAC4-amino-3-(8-azaspiro[4.5]decan-8-yl)benzamide
SMILESNC(=O)c1ccc(N)c(N2CCC3(CCCC3)CC2)c1
InChIInChI=1S/C16H23N3O/c17-13-4-3-12(15(18)20)11-14(13)19-9-7-16(8-10-19)5-1-2-6-16/h3-4,11H,1-2,5-10,17H2,(H2,18,20)
InChIKeyJPYJZZSRDBNEGG-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.53
Rot. Bonds2

About 4-amino-3-(8-azaspiro[4.5]decan-8-yl)benzamide

4-amino-3-(8-azaspiro[4.5]decan-8-yl)benzamide (PubChem CID 63356536) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is 4-amino-3-(8-azaspiro[4.5]decan-8-yl)benzamide.

Molecular Properties

Compound Name4-amino-3-(8-azaspiro[4.5]decan-8-yl)benzamide
PubChem CID63356536
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name4-amino-3-(8-azaspiro[4.5]decan-8-yl)benzamide
SMILESNC(=O)c1ccc(N)c(N2CCC3(CCCC3)CC2)c1
InChIInChI=1S/C16H23N3O/c17-13-4-3-12(15(18)20)11-14(13)19-9-7-16(8-10-19)5-1-2-6-16/h3-4,11H,1-2,5-10,17H2,(H2,18,20)
InChIKeyJPYJZZSRDBNEGG-UHFFFAOYSA-N
XLogP2.53
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-amino-3-pyrrolidin-1-ylbenzamide
CID 63355693
4-amino-3-(2,2-dimethylpyrrolidin-1-yl)benzamide
CID 63356660
4-amino-3-(4-methylpiperazin-1-yl)benzamide
CID 55189987
3-(4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl)-4-aminobenzamide
CID 81099253
3-amino-4-(4,4-dimethylazepan-1-yl)benzamide
CID 65283334
4-amino-3-[4-(cyclopropylmethyl)piperazin-1-yl]benzamide
CID 63356184
3-amino-4-(4,4-diethylpiperidin-1-yl)benzamide
CID 63160333
1-(4-amino-3-pyrrolidin-1-ylphenyl)ethanone
CID 165012746
1-[4-(8-azaspiro[4.5]decan-8-yl)-3-chlorophenyl]ethanone
CID 63158222
4-methyl-3-pyrrolidin-1-ylbenzamide
CID 68604380
4-amino-3-(3-piperidin-1-ylpyrrolidin-1-yl)benzamide
CID 63356577
4-amino-3-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)benzamide
CID 63356618

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-(8-azaspiro[4.5]decan-8-yl)benzamide?
The IUPAC name of 4-amino-3-(8-azaspiro[4.5]decan-8-yl)benzamide (CID 63356536) is 4-amino-3-(8-azaspiro[4.5]decan-8-yl)benzamide.
What is the SMILES notation for 4-amino-3-(8-azaspiro[4.5]decan-8-yl)benzamide?
The canonical SMILES for 4-amino-3-(8-azaspiro[4.5]decan-8-yl)benzamide is NC(=O)c1ccc(N)c(N2CCC3(CCCC3)CC2)c1.
What is the InChIKey of 4-amino-3-(8-azaspiro[4.5]decan-8-yl)benzamide?
The InChIKey is JPYJZZSRDBNEGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c17-13-4-3-12(15(18)20)11-14(13)19-9-7-16(8-10-19)5-1-2-6-16/h3-4,11H,1-2,5-10,17H2,(H2,18,20).
What are the key properties of 4-amino-3-(8-azaspiro[4.5]decan-8-yl)benzamide?
4-amino-3-(8-azaspiro[4.5]decan-8-yl)benzamide has a molecular weight of 273.38 g/mol, XLogP of 2.53, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-(8-azaspiro[4.5]decan-8-yl)benzamide is sourced from PubChem (CID 63356536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).