3-[3-(4-amino-3,3-dimethylpiperidin-1-yl)-3-oxopropoxy]benzamide

C17H25N3O3 — CID 120819165

IUPAC3-[3-(4-amino-3,3-dimethylpiperidin-1-yl)-3-oxopropoxy]benzamide
SMILESCC1(C)CN(C(=O)CCOc2cccc(C(N)=O)c2)CCC1N
InChIInChI=1S/C17H25N3O3/c1-17(2)11-20(8-6-14(17)18)15(21)7-9-23-13-5-3-4-12(10-13)16(19)22/h3-5,10,14H,6-9,11,18H2,1-2H3,(H2,19,22)
InChIKeyFNYMRYHFRVPCSF-UHFFFAOYSA-N
MW319.40 g/mol
LogP1.14
Rot. Bonds5

About 3-[3-(4-amino-3,3-dimethylpiperidin-1-yl)-3-oxopropoxy]benzamide

3-[3-(4-amino-3,3-dimethylpiperidin-1-yl)-3-oxopropoxy]benzamide (PubChem CID 120819165) has the molecular formula C17H25N3O3 and a molecular weight of 319.40 g/mol. Its IUPAC name is 3-[3-(4-amino-3,3-dimethylpiperidin-1-yl)-3-oxopropoxy]benzamide.

Molecular Properties

Compound Name3-[3-(4-amino-3,3-dimethylpiperidin-1-yl)-3-oxopropoxy]benzamide
PubChem CID120819165
Molecular FormulaC17H25N3O3
Molecular Weight319.40 g/mol
Exact Mass319.19
IUPAC Name3-[3-(4-amino-3,3-dimethylpiperidin-1-yl)-3-oxopropoxy]benzamide
SMILESCC1(C)CN(C(=O)CCOc2cccc(C(N)=O)c2)CCC1N
InChIInChI=1S/C17H25N3O3/c1-17(2)11-20(8-6-14(17)18)15(21)7-9-23-13-5-3-4-12(10-13)16(19)22/h3-5,10,14H,6-9,11,18H2,1-2H3,(H2,19,22)
InChIKeyFNYMRYHFRVPCSF-UHFFFAOYSA-N
XLogP1.14
TPSA98.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-amino-3,3-dimethylpiperidin-1-yl)-5-(3-methylphenoxy)pentan-1-one
CID 120819975
2-(3-acetylphenoxy)-1-(4-amino-3,3-dimethylpiperidin-1-yl)ethanone
CID 120815322
1-[3-(3-carbamoylphenoxy)propanoyl]piperidine-4-carboxylic acid
CID 119349211
1-(4-amino-3,3-dimethylpiperidin-1-yl)-3-(3,5-dimethylphenoxy)propan-1-one;hydrochloride
CID 120815097
3-[3-[(2S,4S)-4-amino-2-methylpiperidin-1-yl]-3-oxopropoxy]benzamide
CID 124691675
3-[3-[4-(3-aminopropoxy)piperidin-1-yl]-3-oxopropoxy]benzamide;hydrochloride
CID 119664640
1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-(3-fluorophenoxy)ethanone
CID 120817079
1-(4-amino-3,3-dimethylpiperidin-1-yl)-4-phenylbutane-1,4-dione
CID 120816946
1-(4-amino-3,3-dimethylpiperidin-1-yl)-3-(2,4-dimethylphenoxy)propan-1-one;hydrochloride
CID 120817690
1-(4-amino-3,3-dimethylpiperidin-1-yl)-3-(3-methylphenyl)propan-1-one
CID 120818633
1-(4-amino-3,3-dimethylpiperidin-1-yl)-3-phenylpropan-1-one
CID 115269770
1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-[3-[(3-chlorophenyl)methoxy]phenyl]ethanone;hydrochloride
CID 120819154

Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-amino-3,3-dimethylpiperidin-1-yl)-3-oxopropoxy]benzamide?
The IUPAC name of 3-[3-(4-amino-3,3-dimethylpiperidin-1-yl)-3-oxopropoxy]benzamide (CID 120819165) is 3-[3-(4-amino-3,3-dimethylpiperidin-1-yl)-3-oxopropoxy]benzamide.
What is the SMILES notation for 3-[3-(4-amino-3,3-dimethylpiperidin-1-yl)-3-oxopropoxy]benzamide?
The canonical SMILES for 3-[3-(4-amino-3,3-dimethylpiperidin-1-yl)-3-oxopropoxy]benzamide is CC1(C)CN(C(=O)CCOc2cccc(C(N)=O)c2)CCC1N.
What is the InChIKey of 3-[3-(4-amino-3,3-dimethylpiperidin-1-yl)-3-oxopropoxy]benzamide?
The InChIKey is FNYMRYHFRVPCSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O3/c1-17(2)11-20(8-6-14(17)18)15(21)7-9-23-13-5-3-4-12(10-13)16(19)22/h3-5,10,14H,6-9,11,18H2,1-2H3,(H2,19,22).
What are the key properties of 3-[3-(4-amino-3,3-dimethylpiperidin-1-yl)-3-oxopropoxy]benzamide?
3-[3-(4-amino-3,3-dimethylpiperidin-1-yl)-3-oxopropoxy]benzamide has a molecular weight of 319.40 g/mol, XLogP of 1.14, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-amino-3,3-dimethylpiperidin-1-yl)-3-oxopropoxy]benzamide is sourced from PubChem (CID 120819165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).