3-(2-aminophenyl)-N-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]propanamide

C19H31N3O — CID 120612697

IUPAC3-(2-aminophenyl)-N-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]propanamide
SMILESCC1CCCN(C(C)(C)CNC(=O)CCc2ccccc2N)C1
InChIInChI=1S/C19H31N3O/c1-15-7-6-12-22(13-15)19(2,3)14-21-18(23)11-10-16-8-4-5-9-17(16)20/h4-5,8-9,15H,6-7,10-14,20H2,1-3H3,(H,21,23)
InChIKeyMXDKZKFEPHBCJQ-UHFFFAOYSA-N
MW317.48 g/mol
LogP2.83
Rot. Bonds6

About 3-(2-aminophenyl)-N-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]propanamide

3-(2-aminophenyl)-N-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]propanamide (PubChem CID 120612697) has the molecular formula C19H31N3O and a molecular weight of 317.48 g/mol. Its IUPAC name is 3-(2-aminophenyl)-N-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]propanamide.

Molecular Properties

Compound Name3-(2-aminophenyl)-N-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]propanamide
PubChem CID120612697
Molecular FormulaC19H31N3O
Molecular Weight317.48 g/mol
Exact Mass317.25
IUPAC Name3-(2-aminophenyl)-N-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]propanamide
SMILESCC1CCCN(C(C)(C)CNC(=O)CCc2ccccc2N)C1
InChIInChI=1S/C19H31N3O/c1-15-7-6-12-22(13-15)19(2,3)14-21-18(23)11-10-16-8-4-5-9-17(16)20/h4-5,8-9,15H,6-7,10-14,20H2,1-3H3,(H,21,23)
InChIKeyMXDKZKFEPHBCJQ-UHFFFAOYSA-N
XLogP2.83
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.48
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-(2-aminophenyl)-N-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]propanamide 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-hydroxy-N-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]-3-phenylbutanamide
CID 110025007
3-(3-methoxyphenyl)-N-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]propanamide
CID 60568816
3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]propanamide
CID 86945221
3-(2-methoxyphenyl)-N-(2-methyl-2-piperidin-1-ylpropyl)propanamide
CID 51164305
3-(2-aminophenyl)-1-(4-methylazepan-1-yl)propan-1-one
CID 63625999
N-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide
CID 60568591
N-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 60568817
2-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]acetamide
CID 60568533
3-(2-aminophenyl)-N-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]propanamide
CID 120612330
5-amino-2-methyl-N-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]benzamide
CID 120645327
3-(2-aminophenyl)-N-(2,2-diethylbutyl)propanamide;hydrochloride
CID 120611896
3-(2-aminophenyl)-N-(2-methyl-2-methylsulfanylpropyl)propanamide;hydrochloride
CID 120610929

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminophenyl)-N-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]propanamide?
The IUPAC name of 3-(2-aminophenyl)-N-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]propanamide (CID 120612697) is 3-(2-aminophenyl)-N-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]propanamide.
What is the SMILES notation for 3-(2-aminophenyl)-N-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]propanamide?
The canonical SMILES for 3-(2-aminophenyl)-N-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]propanamide is CC1CCCN(C(C)(C)CNC(=O)CCc2ccccc2N)C1.
What is the InChIKey of 3-(2-aminophenyl)-N-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]propanamide?
The InChIKey is MXDKZKFEPHBCJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O/c1-15-7-6-12-22(13-15)19(2,3)14-21-18(23)11-10-16-8-4-5-9-17(16)20/h4-5,8-9,15H,6-7,10-14,20H2,1-3H3,(H,21,23).
What are the key properties of 3-(2-aminophenyl)-N-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]propanamide?
3-(2-aminophenyl)-N-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]propanamide has a molecular weight of 317.48 g/mol, XLogP of 2.83, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminophenyl)-N-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]propanamide is sourced from PubChem (CID 120612697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).