3-amino-4-[(2-ethylpiperidin-1-yl)methyl]-N-propan-2-ylbenzamide

C18H29N3O — CID 82167860

IUPAC3-amino-4-[(2-ethylpiperidin-1-yl)methyl]-N-propan-2-ylbenzamide
SMILESCCC1CCCCN1Cc1ccc(C(=O)NC(C)C)cc1N
InChIInChI=1S/C18H29N3O/c1-4-16-7-5-6-10-21(16)12-15-9-8-14(11-17(15)19)18(22)20-13(2)3/h8-9,11,13,16H,4-7,10,12,19H2,1-3H3,(H,20,22)
InChIKeyHDYLRWXYFCHDCX-UHFFFAOYSA-N
MW303.45 g/mol
LogP3.17
Rot. Bonds5

About 3-amino-4-[(2-ethylpiperidin-1-yl)methyl]-N-propan-2-ylbenzamide

3-amino-4-[(2-ethylpiperidin-1-yl)methyl]-N-propan-2-ylbenzamide (PubChem CID 82167860) has the molecular formula C18H29N3O and a molecular weight of 303.45 g/mol. Its IUPAC name is 3-amino-4-[(2-ethylpiperidin-1-yl)methyl]-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name3-amino-4-[(2-ethylpiperidin-1-yl)methyl]-N-propan-2-ylbenzamide
PubChem CID82167860
Molecular FormulaC18H29N3O
Molecular Weight303.45 g/mol
Exact Mass303.23
IUPAC Name3-amino-4-[(2-ethylpiperidin-1-yl)methyl]-N-propan-2-ylbenzamide
SMILESCCC1CCCCN1Cc1ccc(C(=O)NC(C)C)cc1N
InChIInChI=1S/C18H29N3O/c1-4-16-7-5-6-10-21(16)12-15-9-8-14(11-17(15)19)18(22)20-13(2)3/h8-9,11,13,16H,4-7,10,12,19H2,1-3H3,(H,20,22)
InChIKeyHDYLRWXYFCHDCX-UHFFFAOYSA-N
XLogP3.17
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-amino-4-[(2-ethylpiperidin-1-yl)methyl]-N-propan-2-ylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-amino-N-ethyl-4-[(2-ethylpiperidin-1-yl)methyl]benzamide
CID 82167845
ethyl 3-amino-4-[(2-ethylpiperidin-1-yl)methyl]benzoate
CID 82165894
3-amino-4-[(2-ethylazepan-1-yl)methyl]benzamide
CID 104689056
3-amino-4-[(4-methylpiperidin-1-yl)methyl]-N-propan-2-ylbenzamide
CID 82167867
3-amino-4-[(2-methylpiperidin-1-yl)methyl]-N-(2-methylpropyl)benzamide
CID 82167886
3-[(2-ethylpiperidin-1-yl)methyl]furan-2-carbohydrazide
CID 63572129
4-[(2-ethylpiperidin-1-yl)methyl]-3-fluoroaniline
CID 64767866
4-[(2-ethylpiperidin-1-yl)methyl]-5-methylfuran-2-carbohydrazide
CID 63572887
4-fluoro-3-[(2-propylpiperidin-1-yl)methyl]benzohydrazide
CID 107458723
3-amino-N-(2-methylpropyl)-4-(pyrrolidin-1-ylmethyl)benzamide
CID 82167896
2-[(2-ethylpiperidin-1-yl)methyl]-4-fluorobenzoic acid
CID 107907513
3-amino-N-[2-(2-ethylpiperidin-1-yl)ethyl]benzamide;dihydrochloride
CID 119887818

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-[(2-ethylpiperidin-1-yl)methyl]-N-propan-2-ylbenzamide?
The IUPAC name of 3-amino-4-[(2-ethylpiperidin-1-yl)methyl]-N-propan-2-ylbenzamide (CID 82167860) is 3-amino-4-[(2-ethylpiperidin-1-yl)methyl]-N-propan-2-ylbenzamide.
What is the SMILES notation for 3-amino-4-[(2-ethylpiperidin-1-yl)methyl]-N-propan-2-ylbenzamide?
The canonical SMILES for 3-amino-4-[(2-ethylpiperidin-1-yl)methyl]-N-propan-2-ylbenzamide is CCC1CCCCN1Cc1ccc(C(=O)NC(C)C)cc1N.
What is the InChIKey of 3-amino-4-[(2-ethylpiperidin-1-yl)methyl]-N-propan-2-ylbenzamide?
The InChIKey is HDYLRWXYFCHDCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O/c1-4-16-7-5-6-10-21(16)12-15-9-8-14(11-17(15)19)18(22)20-13(2)3/h8-9,11,13,16H,4-7,10,12,19H2,1-3H3,(H,20,22).
What are the key properties of 3-amino-4-[(2-ethylpiperidin-1-yl)methyl]-N-propan-2-ylbenzamide?
3-amino-4-[(2-ethylpiperidin-1-yl)methyl]-N-propan-2-ylbenzamide has a molecular weight of 303.45 g/mol, XLogP of 3.17, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-[(2-ethylpiperidin-1-yl)methyl]-N-propan-2-ylbenzamide is sourced from PubChem (CID 82167860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).