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

C17H27N3O — CID 82167867

IUPAC3-amino-4-[(4-methylpiperidin-1-yl)methyl]-N-propan-2-ylbenzamide
SMILESCC1CCN(Cc2ccc(C(=O)NC(C)C)cc2N)CC1
InChIInChI=1S/C17H27N3O/c1-12(2)19-17(21)14-4-5-15(16(18)10-14)11-20-8-6-13(3)7-9-20/h4-5,10,12-13H,6-9,11,18H2,1-3H3,(H,19,21)
InChIKeyUSECVTXGQQGFFL-UHFFFAOYSA-N
MW289.42 g/mol
LogP2.64
Rot. Bonds4

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

3-amino-4-[(4-methylpiperidin-1-yl)methyl]-N-propan-2-ylbenzamide (PubChem CID 82167867) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is 3-amino-4-[(4-methylpiperidin-1-yl)methyl]-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name3-amino-4-[(4-methylpiperidin-1-yl)methyl]-N-propan-2-ylbenzamide
PubChem CID82167867
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name3-amino-4-[(4-methylpiperidin-1-yl)methyl]-N-propan-2-ylbenzamide
SMILESCC1CCN(Cc2ccc(C(=O)NC(C)C)cc2N)CC1
InChIInChI=1S/C17H27N3O/c1-12(2)19-17(21)14-4-5-15(16(18)10-14)11-20-8-6-13(3)7-9-20/h4-5,10,12-13H,6-9,11,18H2,1-3H3,(H,19,21)
InChIKeyUSECVTXGQQGFFL-UHFFFAOYSA-N
XLogP2.64
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 52.64
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-[(2-ethylpiperidin-1-yl)methyl]-N-propan-2-ylbenzamide
CID 82167860
3-amino-N-(2-methylpropyl)-4-(pyrrolidin-1-ylmethyl)benzamide
CID 82167896
N-(3-methylbutan-2-yl)-4-[(4-methylpiperidin-1-yl)methyl]benzamide
CID 133249994
N-[(2R)-3-methylbutan-2-yl]-4-[(4-methylpiperidin-1-yl)methyl]benzamide
CID 100568254
3-amino-4-[(4-hydroxypiperidin-1-yl)methyl]benzamide
CID 43375553
3-amino-4-[(3,5-dimethylpiperidin-1-yl)methyl]benzoic acid
CID 82165851
3-amino-4-[(4-tert-butylpiperidin-1-yl)methyl]benzamide
CID 62089139
3-(4-methylpiperidine-1-carbonyl)-N-propan-2-ylbenzamide
CID 109050480
3-amino-4-[(2-methylpiperidin-1-yl)methyl]-N-(2-methylpropyl)benzamide
CID 82167886
4-[(3-methylpiperidin-1-yl)methyl]-N-propan-2-ylbenzamide
CID 43885844
3-amino-N-ethyl-4-[(4-methylpiperazin-1-yl)methyl]benzamide
CID 82167851
3-amino-N-propan-2-yl-4-(2-pyrrolidin-1-ylethoxy)benzamide
CID 82070469

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-[(4-methylpiperidin-1-yl)methyl]-N-propan-2-ylbenzamide?
The IUPAC name of 3-amino-4-[(4-methylpiperidin-1-yl)methyl]-N-propan-2-ylbenzamide (CID 82167867) is 3-amino-4-[(4-methylpiperidin-1-yl)methyl]-N-propan-2-ylbenzamide.
What is the SMILES notation for 3-amino-4-[(4-methylpiperidin-1-yl)methyl]-N-propan-2-ylbenzamide?
The canonical SMILES for 3-amino-4-[(4-methylpiperidin-1-yl)methyl]-N-propan-2-ylbenzamide is CC1CCN(Cc2ccc(C(=O)NC(C)C)cc2N)CC1.
What is the InChIKey of 3-amino-4-[(4-methylpiperidin-1-yl)methyl]-N-propan-2-ylbenzamide?
The InChIKey is USECVTXGQQGFFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-12(2)19-17(21)14-4-5-15(16(18)10-14)11-20-8-6-13(3)7-9-20/h4-5,10,12-13H,6-9,11,18H2,1-3H3,(H,19,21).
What are the key properties of 3-amino-4-[(4-methylpiperidin-1-yl)methyl]-N-propan-2-ylbenzamide?
3-amino-4-[(4-methylpiperidin-1-yl)methyl]-N-propan-2-ylbenzamide has a molecular weight of 289.42 g/mol, XLogP of 2.64, 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-methylpiperidin-1-yl)methyl]-N-propan-2-ylbenzamide is sourced from PubChem (CID 82167867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).