3-(3,4-dimethylphenyl)-N-[3-(3-methylpiperidin-1-yl)propyl]propanamide

C20H32N2O — CID 133199627

IUPAC3-(3,4-dimethylphenyl)-N-[3-(3-methylpiperidin-1-yl)propyl]propanamide
SMILESCc1ccc(CCC(=O)NCCCN2CCCC(C)C2)cc1C
InChIInChI=1S/C20H32N2O/c1-16-6-4-12-22(15-16)13-5-11-21-20(23)10-9-19-8-7-17(2)18(3)14-19/h7-8,14,16H,4-6,9-13,15H2,1-3H3,(H,21,23)
InChIKeyQMRLFIRUHNYJSB-UHFFFAOYSA-N
MW316.49 g/mol
LogP3.47
Rot. Bonds7

About 3-(3,4-dimethylphenyl)-N-[3-(3-methylpiperidin-1-yl)propyl]propanamide

3-(3,4-dimethylphenyl)-N-[3-(3-methylpiperidin-1-yl)propyl]propanamide (PubChem CID 133199627) has the molecular formula C20H32N2O and a molecular weight of 316.49 g/mol. Its IUPAC name is 3-(3,4-dimethylphenyl)-N-[3-(3-methylpiperidin-1-yl)propyl]propanamide.

Molecular Properties

Compound Name3-(3,4-dimethylphenyl)-N-[3-(3-methylpiperidin-1-yl)propyl]propanamide
PubChem CID133199627
Molecular FormulaC20H32N2O
Molecular Weight316.49 g/mol
Exact Mass316.25
IUPAC Name3-(3,4-dimethylphenyl)-N-[3-(3-methylpiperidin-1-yl)propyl]propanamide
SMILESCc1ccc(CCC(=O)NCCCN2CCCC(C)C2)cc1C
InChIInChI=1S/C20H32N2O/c1-16-6-4-12-22(15-16)13-5-11-21-20(23)10-9-19-8-7-17(2)18(3)14-19/h7-8,14,16H,4-6,9-13,15H2,1-3H3,(H,21,23)
InChIKeyQMRLFIRUHNYJSB-UHFFFAOYSA-N
XLogP3.47
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.49
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(4-cyanophenyl)-N-[4-[(3S)-3-methylpiperidin-1-yl]butyl]propanamide
CID 94120959
3,4-dimethyl-N-[3-(3-methylpiperidin-1-yl)propyl]benzamide
CID 133264409
3,4-dimethyl-N-[3-[(3R)-3-methylpiperidin-1-yl]propyl]benzamide
CID 94119693
5,5-dimethyl-N-[3-(3-methylpiperidin-1-yl)propyl]hexanamide
CID 86889175
N-[3-[(3S)-3-methylpiperidin-1-yl]propyl]-3-(2-oxo-1H-quinolin-3-yl)propanamide
CID 95103339
3-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-N-[3-[(3S)-3-methylpiperidin-1-yl]propyl]propanamide
CID 125060384
N-[(4-methylphenyl)methyl]-3-(3-methylpiperidin-1-yl)propanamide
CID 109019797
3-(2-methylphenyl)-N-[3-(3-methylpiperidin-1-yl)propyl]butanamide
CID 86961985
1-(3,4-dimethylphenyl)sulfonyl-N-[3-(3-methylpiperidin-1-yl)propyl]piperidine-4-carboxamide
CID 55717991
N-[3-(azepan-1-yl)propyl]-3-(3,4-dimethoxyphenyl)propanamide
CID 92675634
N-[2-(3-methoxyphenyl)ethyl]-3-(3-methylpiperidin-1-yl)propanamide
CID 109025513
3-(3-bromophenoxy)-N-[3-(3-methylpiperidin-1-yl)propyl]propanamide
CID 55718087

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethylphenyl)-N-[3-(3-methylpiperidin-1-yl)propyl]propanamide?
The IUPAC name of 3-(3,4-dimethylphenyl)-N-[3-(3-methylpiperidin-1-yl)propyl]propanamide (CID 133199627) is 3-(3,4-dimethylphenyl)-N-[3-(3-methylpiperidin-1-yl)propyl]propanamide.
What is the SMILES notation for 3-(3,4-dimethylphenyl)-N-[3-(3-methylpiperidin-1-yl)propyl]propanamide?
The canonical SMILES for 3-(3,4-dimethylphenyl)-N-[3-(3-methylpiperidin-1-yl)propyl]propanamide is Cc1ccc(CCC(=O)NCCCN2CCCC(C)C2)cc1C.
What is the InChIKey of 3-(3,4-dimethylphenyl)-N-[3-(3-methylpiperidin-1-yl)propyl]propanamide?
The InChIKey is QMRLFIRUHNYJSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2O/c1-16-6-4-12-22(15-16)13-5-11-21-20(23)10-9-19-8-7-17(2)18(3)14-19/h7-8,14,16H,4-6,9-13,15H2,1-3H3,(H,21,23).
What are the key properties of 3-(3,4-dimethylphenyl)-N-[3-(3-methylpiperidin-1-yl)propyl]propanamide?
3-(3,4-dimethylphenyl)-N-[3-(3-methylpiperidin-1-yl)propyl]propanamide has a molecular weight of 316.49 g/mol, XLogP of 3.47, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethylphenyl)-N-[3-(3-methylpiperidin-1-yl)propyl]propanamide is sourced from PubChem (CID 133199627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).