4-amino-N-ethyl-2-(3-hydroxy-4-methylpiperidin-1-yl)benzamide

C15H23N3O2 — CID 102955449

IUPAC4-amino-N-ethyl-2-(3-hydroxy-4-methylpiperidin-1-yl)benzamide
SMILESCCNC(=O)c1ccc(N)cc1N1CCC(C)C(O)C1
InChIInChI=1S/C15H23N3O2/c1-3-17-15(20)12-5-4-11(16)8-13(12)18-7-6-10(2)14(19)9-18/h4-5,8,10,14,19H,3,6-7,9,16H2,1-2H3,(H,17,20)
InChIKeyUOACAIHTDNYTIP-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.23
Rot. Bonds3

About 4-amino-N-ethyl-2-(3-hydroxy-4-methylpiperidin-1-yl)benzamide

4-amino-N-ethyl-2-(3-hydroxy-4-methylpiperidin-1-yl)benzamide (PubChem CID 102955449) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 4-amino-N-ethyl-2-(3-hydroxy-4-methylpiperidin-1-yl)benzamide.

Molecular Properties

Compound Name4-amino-N-ethyl-2-(3-hydroxy-4-methylpiperidin-1-yl)benzamide
PubChem CID102955449
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name4-amino-N-ethyl-2-(3-hydroxy-4-methylpiperidin-1-yl)benzamide
SMILESCCNC(=O)c1ccc(N)cc1N1CCC(C)C(O)C1
InChIInChI=1S/C15H23N3O2/c1-3-17-15(20)12-5-4-11(16)8-13(12)18-7-6-10(2)14(19)9-18/h4-5,8,10,14,19H,3,6-7,9,16H2,1-2H3,(H,17,20)
InChIKeyUOACAIHTDNYTIP-UHFFFAOYSA-N
XLogP1.23
TPSA78.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-ethyl-4-(3-hydroxy-4-methylpiperidin-1-yl)benzamide
CID 102955519
4-amino-N-ethyl-2-(3-methoxypiperidin-1-yl)benzamide
CID 102955746
4-amino-N-ethyl-2-[2-(hydroxymethyl)morpholin-4-yl]benzamide
CID 81205850
4-amino-2-(4,4-dimethylazepan-1-yl)-N-ethylbenzamide
CID 65283667
4-amino-2-(4-hydroxy-3-methylpiperidin-1-yl)-N,N-dimethylbenzamide
CID 114677740
5-amino-N-ethyl-2-piperidin-1-ylbenzamide
CID 100651237
4-amino-2-[3-(methoxymethyl)pyrrolidin-1-yl]benzoic acid
CID 64598678
4-amino-N-ethyl-3-(3-hydroxypiperidin-1-yl)benzamide
CID 55189651
4-amino-2-[(3,4-dimethylcyclohexyl)amino]-N-ethylbenzamide
CID 64740693
1-(2-amino-4-bromophenyl)-4-methylpiperidin-3-ol
CID 102955441
2-(3-hydroxy-4-methylpiperidin-1-yl)benzoic acid
CID 102958633
4-amino-2-chloro-N-ethylbenzamide;hydrochloride
CID 47000809

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-ethyl-2-(3-hydroxy-4-methylpiperidin-1-yl)benzamide?
The IUPAC name of 4-amino-N-ethyl-2-(3-hydroxy-4-methylpiperidin-1-yl)benzamide (CID 102955449) is 4-amino-N-ethyl-2-(3-hydroxy-4-methylpiperidin-1-yl)benzamide.
What is the SMILES notation for 4-amino-N-ethyl-2-(3-hydroxy-4-methylpiperidin-1-yl)benzamide?
The canonical SMILES for 4-amino-N-ethyl-2-(3-hydroxy-4-methylpiperidin-1-yl)benzamide is CCNC(=O)c1ccc(N)cc1N1CCC(C)C(O)C1.
What is the InChIKey of 4-amino-N-ethyl-2-(3-hydroxy-4-methylpiperidin-1-yl)benzamide?
The InChIKey is UOACAIHTDNYTIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-3-17-15(20)12-5-4-11(16)8-13(12)18-7-6-10(2)14(19)9-18/h4-5,8,10,14,19H,3,6-7,9,16H2,1-2H3,(H,17,20).
What are the key properties of 4-amino-N-ethyl-2-(3-hydroxy-4-methylpiperidin-1-yl)benzamide?
4-amino-N-ethyl-2-(3-hydroxy-4-methylpiperidin-1-yl)benzamide has a molecular weight of 277.37 g/mol, XLogP of 1.23, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-ethyl-2-(3-hydroxy-4-methylpiperidin-1-yl)benzamide is sourced from PubChem (CID 102955449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).