3-amino-2-methyl-N-[2-(3-methylpiperidin-1-yl)propyl]-3-phenylpropanamide

C19H31N3O — CID 119850745

IUPAC3-amino-2-methyl-N-[2-(3-methylpiperidin-1-yl)propyl]-3-phenylpropanamide
SMILESCC1CCCN(C(C)CNC(=O)C(C)C(N)c2ccccc2)C1
InChIInChI=1S/C19H31N3O/c1-14-8-7-11-22(13-14)15(2)12-21-19(23)16(3)18(20)17-9-5-4-6-10-17/h4-6,9-10,14-16,18H,7-8,11-13,20H2,1-3H3,(H,21,23)
InChIKeyPHZASWRAAFILFU-UHFFFAOYSA-N
MW317.48 g/mol
LogP2.56
Rot. Bonds6

About 3-amino-2-methyl-N-[2-(3-methylpiperidin-1-yl)propyl]-3-phenylpropanamide

3-amino-2-methyl-N-[2-(3-methylpiperidin-1-yl)propyl]-3-phenylpropanamide (PubChem CID 119850745) has the molecular formula C19H31N3O and a molecular weight of 317.48 g/mol. Its IUPAC name is 3-amino-2-methyl-N-[2-(3-methylpiperidin-1-yl)propyl]-3-phenylpropanamide.

Molecular Properties

Compound Name3-amino-2-methyl-N-[2-(3-methylpiperidin-1-yl)propyl]-3-phenylpropanamide
PubChem CID119850745
Molecular FormulaC19H31N3O
Molecular Weight317.48 g/mol
Exact Mass317.25
IUPAC Name3-amino-2-methyl-N-[2-(3-methylpiperidin-1-yl)propyl]-3-phenylpropanamide
SMILESCC1CCCN(C(C)CNC(=O)C(C)C(N)c2ccccc2)C1
InChIInChI=1S/C19H31N3O/c1-14-8-7-11-22(13-14)15(2)12-21-19(23)16(3)18(20)17-9-5-4-6-10-17/h4-6,9-10,14-16,18H,7-8,11-13,20H2,1-3H3,(H,21,23)
InChIKeyPHZASWRAAFILFU-UHFFFAOYSA-N
XLogP2.56
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 ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-hydroxy-2-phenylbutyl)-3-[2-(3-methylpiperidin-1-yl)propyl]urea
CID 111450668
2-amino-N-[2-(3-methylpiperidin-1-yl)propyl]benzamide;dihydrochloride
CID 119946563
2-bromo-N-[2-(3-methylpiperidin-1-yl)propyl]benzamide
CID 47036181
2-(3-methylpiperidin-1-yl)-N-(1-phenylethyl)propanamide
CID 46800680
3-amino-N-[2-(3-methylpiperidin-1-yl)propyl]benzamide
CID 119850765
1-(3-hydroxy-2-phenylpropyl)-2-methyl-3-[2-(3-methylpiperidin-1-yl)propyl]guanidine;hydroiodide
CID 109409300
3-amino-N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]-2-methyl-3-phenylpropanamide;dihydrochloride
CID 119849317
3-amino-N-(2-hydroxypropyl)-2-methyl-3-phenylpropanamide
CID 80551917
3-amino-N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-2-methyl-3-phenylpropanamide;dihydrochloride
CID 119829693
3-amino-N-(1-cyclopentylethyl)-2-methyl-3-phenylpropanamide
CID 80552136
3-amino-N-[2-(dimethylamino)propyl]-2-methyl-3-phenylpropanamide;dihydrochloride
CID 119861809
N-(methylcarbamoyl)-2-(3-methylpiperidin-1-yl)-2-phenylacetamide
CID 51167810

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-methyl-N-[2-(3-methylpiperidin-1-yl)propyl]-3-phenylpropanamide?
The IUPAC name of 3-amino-2-methyl-N-[2-(3-methylpiperidin-1-yl)propyl]-3-phenylpropanamide (CID 119850745) is 3-amino-2-methyl-N-[2-(3-methylpiperidin-1-yl)propyl]-3-phenylpropanamide.
What is the SMILES notation for 3-amino-2-methyl-N-[2-(3-methylpiperidin-1-yl)propyl]-3-phenylpropanamide?
The canonical SMILES for 3-amino-2-methyl-N-[2-(3-methylpiperidin-1-yl)propyl]-3-phenylpropanamide is CC1CCCN(C(C)CNC(=O)C(C)C(N)c2ccccc2)C1.
What is the InChIKey of 3-amino-2-methyl-N-[2-(3-methylpiperidin-1-yl)propyl]-3-phenylpropanamide?
The InChIKey is PHZASWRAAFILFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O/c1-14-8-7-11-22(13-14)15(2)12-21-19(23)16(3)18(20)17-9-5-4-6-10-17/h4-6,9-10,14-16,18H,7-8,11-13,20H2,1-3H3,(H,21,23).
What are the key properties of 3-amino-2-methyl-N-[2-(3-methylpiperidin-1-yl)propyl]-3-phenylpropanamide?
3-amino-2-methyl-N-[2-(3-methylpiperidin-1-yl)propyl]-3-phenylpropanamide has a molecular weight of 317.48 g/mol, XLogP of 2.56, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-methyl-N-[2-(3-methylpiperidin-1-yl)propyl]-3-phenylpropanamide is sourced from PubChem (CID 119850745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).