3-amino-4-methyl-N-(1-methylpiperidin-3-yl)benzamide

C14H21N3O — CID 61211762

IUPAC3-amino-4-methyl-N-(1-methylpiperidin-3-yl)benzamide
SMILESCc1ccc(C(=O)NC2CCCN(C)C2)cc1N
InChIInChI=1S/C14H21N3O/c1-10-5-6-11(8-13(10)15)14(18)16-12-4-3-7-17(2)9-12/h5-6,8,12H,3-4,7,9,15H2,1-2H3,(H,16,18)
InChIKeyUXVPAISSOLVLQD-UHFFFAOYSA-N
MW247.34 g/mol
LogP1.40
Rot. Bonds2

About 3-amino-4-methyl-N-(1-methylpiperidin-3-yl)benzamide

3-amino-4-methyl-N-(1-methylpiperidin-3-yl)benzamide (PubChem CID 61211762) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 3-amino-4-methyl-N-(1-methylpiperidin-3-yl)benzamide.

Molecular Properties

Compound Name3-amino-4-methyl-N-(1-methylpiperidin-3-yl)benzamide
PubChem CID61211762
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name3-amino-4-methyl-N-(1-methylpiperidin-3-yl)benzamide
SMILESCc1ccc(C(=O)NC2CCCN(C)C2)cc1N
InChIInChI=1S/C14H21N3O/c1-10-5-6-11(8-13(10)15)14(18)16-12-4-3-7-17(2)9-12/h5-6,8,12H,3-4,7,9,15H2,1-2H3,(H,16,18)
InChIKeyUXVPAISSOLVLQD-UHFFFAOYSA-N
XLogP1.40
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 51.40
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

5-amino-2,4-dimethyl-N-(1-methylpiperidin-3-yl)benzamide
CID 102705323
4-amino-3-methoxy-N-[(3S)-1-methylpiperidin-3-yl]benzamide
CID 89186292
[2-amino-5-[(1-methylpiperidin-3-yl)carbamoyl]phenyl] carbamate
CID 150279764
N-(1-methylpiperidin-3-yl)-2,3-dihydro-1H-isoindole-5-carboxamide
CID 103998661
3-chloro-N-(1-methylpiperidin-3-yl)benzamide
CID 77452165
3-(3-hydroxyprop-1-ynyl)-4-methyl-N-(1-methylpiperidin-3-yl)benzamide
CID 81458784
4-bromo-3-fluoro-N-(1-methylpiperidin-3-yl)benzamide
CID 47422175
3-bromo-4-fluoro-N-(1-methylpiperidin-3-yl)benzamide
CID 103707349
3-amino-N-methyl-4-[(1-methylpiperidin-3-yl)amino]benzamide
CID 82988709
4-amino-3-hydroxy-N-(1-methylpyrrolidin-3-yl)benzamide
CID 107074871
4-fluoro-2-methyl-N-(1-methylpiperidin-3-yl)benzamide
CID 112702652
4-amino-3-methyl-N-(1-methylpiperidin-4-yl)benzamide
CID 43373277

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-methyl-N-(1-methylpiperidin-3-yl)benzamide?
The IUPAC name of 3-amino-4-methyl-N-(1-methylpiperidin-3-yl)benzamide (CID 61211762) is 3-amino-4-methyl-N-(1-methylpiperidin-3-yl)benzamide.
What is the SMILES notation for 3-amino-4-methyl-N-(1-methylpiperidin-3-yl)benzamide?
The canonical SMILES for 3-amino-4-methyl-N-(1-methylpiperidin-3-yl)benzamide is Cc1ccc(C(=O)NC2CCCN(C)C2)cc1N.
What is the InChIKey of 3-amino-4-methyl-N-(1-methylpiperidin-3-yl)benzamide?
The InChIKey is UXVPAISSOLVLQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-10-5-6-11(8-13(10)15)14(18)16-12-4-3-7-17(2)9-12/h5-6,8,12H,3-4,7,9,15H2,1-2H3,(H,16,18).
What are the key properties of 3-amino-4-methyl-N-(1-methylpiperidin-3-yl)benzamide?
3-amino-4-methyl-N-(1-methylpiperidin-3-yl)benzamide has a molecular weight of 247.34 g/mol, XLogP of 1.40, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-methyl-N-(1-methylpiperidin-3-yl)benzamide is sourced from PubChem (CID 61211762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).