3-amino-4-(4,4-diethylpiperidin-1-yl)benzamide

C16H25N3O — CID 63160333

IUPAC3-amino-4-(4,4-diethylpiperidin-1-yl)benzamide
SMILESCCC1(CC)CCN(c2ccc(C(N)=O)cc2N)CC1
InChIInChI=1S/C16H25N3O/c1-3-16(4-2)7-9-19(10-8-16)14-6-5-12(15(18)20)11-13(14)17/h5-6,11H,3-4,7-10,17H2,1-2H3,(H2,18,20)
InChIKeyRGAFFSZKRCGEOK-UHFFFAOYSA-N
MW275.40 g/mol
LogP2.77
Rot. Bonds4

About 3-amino-4-(4,4-diethylpiperidin-1-yl)benzamide

3-amino-4-(4,4-diethylpiperidin-1-yl)benzamide (PubChem CID 63160333) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 3-amino-4-(4,4-diethylpiperidin-1-yl)benzamide.

Molecular Properties

Compound Name3-amino-4-(4,4-diethylpiperidin-1-yl)benzamide
PubChem CID63160333
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name3-amino-4-(4,4-diethylpiperidin-1-yl)benzamide
SMILESCCC1(CC)CCN(c2ccc(C(N)=O)cc2N)CC1
InChIInChI=1S/C16H25N3O/c1-3-16(4-2)7-9-19(10-8-16)14-6-5-12(15(18)20)11-13(14)17/h5-6,11H,3-4,7-10,17H2,1-2H3,(H2,18,20)
InChIKeyRGAFFSZKRCGEOK-UHFFFAOYSA-N
XLogP2.77
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 52.77
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

3-amino-4-(4,4-dimethylazepan-1-yl)benzamide
CID 65283334
3-amino-4-(3,3-diethylpyrrolidin-1-yl)-N-methylbenzamide
CID 83000296
3-amino-4-(2,2,6,6-tetramethylmorpholin-4-yl)benzamide
CID 102742749
4-amino-3-pyrrolidin-1-ylbenzamide
CID 63355693
3-amino-4-[4-(2-fluorophenyl)piperazin-1-yl]benzamide
CID 100633877
4-amino-3-(8-azaspiro[4.5]decan-8-yl)benzamide
CID 63356536
3-amino-4-[3-(methoxymethyl)pyrrolidin-1-yl]benzamide
CID 64571235
2-(4,4-diethylpiperidin-1-yl)-5-fluoro-4-methylaniline
CID 103590369
3-amino-4-(3-methoxypyrrolidin-1-yl)benzamide
CID 103530522
1-[4-(4,4-diethylpiperidin-1-yl)phenyl]ethanone
CID 63158758
4-amino-3-(4-methylpiperazin-1-yl)benzamide
CID 55189987
3-amino-4-ethylbenzamide
CID 19977641

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-(4,4-diethylpiperidin-1-yl)benzamide?
The IUPAC name of 3-amino-4-(4,4-diethylpiperidin-1-yl)benzamide (CID 63160333) is 3-amino-4-(4,4-diethylpiperidin-1-yl)benzamide.
What is the SMILES notation for 3-amino-4-(4,4-diethylpiperidin-1-yl)benzamide?
The canonical SMILES for 3-amino-4-(4,4-diethylpiperidin-1-yl)benzamide is CCC1(CC)CCN(c2ccc(C(N)=O)cc2N)CC1.
What is the InChIKey of 3-amino-4-(4,4-diethylpiperidin-1-yl)benzamide?
The InChIKey is RGAFFSZKRCGEOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-3-16(4-2)7-9-19(10-8-16)14-6-5-12(15(18)20)11-13(14)17/h5-6,11H,3-4,7-10,17H2,1-2H3,(H2,18,20).
What are the key properties of 3-amino-4-(4,4-diethylpiperidin-1-yl)benzamide?
3-amino-4-(4,4-diethylpiperidin-1-yl)benzamide has a molecular weight of 275.40 g/mol, XLogP of 2.77, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-(4,4-diethylpiperidin-1-yl)benzamide is sourced from PubChem (CID 63160333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).