3,4-dimethyl-N-[3-[(3R)-3-methylpiperidin-1-yl]propyl]benzamide

C18H28N2O — CID 94119693

IUPAC3,4-dimethyl-N-[3-[(3R)-3-methylpiperidin-1-yl]propyl]benzamide
SMILESCc1ccc(C(=O)NCCCN2CCC[C@@H](C)C2)cc1C
InChIInChI=1S/C18H28N2O/c1-14-6-4-10-20(13-14)11-5-9-19-18(21)17-8-7-15(2)16(3)12-17/h7-8,12,14H,4-6,9-11,13H2,1-3H3,(H,19,21)/t14-/m1/s1
InChIKeyWGYNEWDWBQAFCM-CQSZACIVSA-N
MW288.44 g/mol
LogP3.16
Rot. Bonds5

About 3,4-dimethyl-N-[3-[(3R)-3-methylpiperidin-1-yl]propyl]benzamide

3,4-dimethyl-N-[3-[(3R)-3-methylpiperidin-1-yl]propyl]benzamide (PubChem CID 94119693) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is 3,4-dimethyl-N-[3-[(3R)-3-methylpiperidin-1-yl]propyl]benzamide.

Molecular Properties

Compound Name3,4-dimethyl-N-[3-[(3R)-3-methylpiperidin-1-yl]propyl]benzamide
PubChem CID94119693
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC Name3,4-dimethyl-N-[3-[(3R)-3-methylpiperidin-1-yl]propyl]benzamide
SMILESCc1ccc(C(=O)NCCCN2CCC[C@@H](C)C2)cc1C
InChIInChI=1S/C18H28N2O/c1-14-6-4-10-20(13-14)11-5-9-19-18(21)17-8-7-15(2)16(3)12-17/h7-8,12,14H,4-6,9-11,13H2,1-3H3,(H,19,21)/t14-/m1/s1
InChIKeyWGYNEWDWBQAFCM-CQSZACIVSA-N
XLogP3.16
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 53.16
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-dimethyl-N-[3-(3-methylpiperidin-1-yl)propyl]benzamide
CID 133264409
3-(methanesulfonamido)-4-methyl-N-[3-(3-methylpiperidin-1-yl)propyl]benzamide
CID 55717869
N-[4-(3-methylpiperidin-1-yl)butyl]naphthalene-2-carboxamide
CID 51115800
4-[[(3S)-3-methylpiperidin-1-yl]methyl]-N-(3-pyrrolidin-1-ylpropyl)benzamide
CID 94022375
4-[[(3R)-3-methylpiperidin-1-yl]methyl]-N-(3-pyrrolidin-1-ylpropyl)benzamide
CID 94022373
3-(3,4-dimethylphenyl)-N-[3-(3-methylpiperidin-1-yl)propyl]propanamide
CID 133199627
N-[3-(3-methylpiperidin-1-yl)propyl]-3-(methylsulfamoyl)benzamide
CID 133231319
3-(dimethylsulfamoyl)-4-methoxy-N-[4-(3-methylpiperidin-1-yl)butyl]benzamide
CID 55717312
4-[[(3S)-3-methylpiperidin-1-yl]methyl]-N-[3-(4-methylpiperidin-1-yl)propyl]benzamide
CID 92672834
9-chloro-N-[3-(3-methylpiperidin-1-yl)propyl]-5,6,7,8-tetrahydroacridine-3-carboxamide
CID 20866087
3-fluoro-N-[2-[3-(3-methylpiperidin-1-yl)propylamino]-2-oxoethyl]benzamide
CID 78878509
3-methyl-N-[1-[3-(3-methylpiperidin-1-yl)propylamino]-1-oxopropan-2-yl]benzamide
CID 86990789

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-N-[3-[(3R)-3-methylpiperidin-1-yl]propyl]benzamide?
The IUPAC name of 3,4-dimethyl-N-[3-[(3R)-3-methylpiperidin-1-yl]propyl]benzamide (CID 94119693) is 3,4-dimethyl-N-[3-[(3R)-3-methylpiperidin-1-yl]propyl]benzamide.
What is the SMILES notation for 3,4-dimethyl-N-[3-[(3R)-3-methylpiperidin-1-yl]propyl]benzamide?
The canonical SMILES for 3,4-dimethyl-N-[3-[(3R)-3-methylpiperidin-1-yl]propyl]benzamide is Cc1ccc(C(=O)NCCCN2CCC[C@@H](C)C2)cc1C.
What is the InChIKey of 3,4-dimethyl-N-[3-[(3R)-3-methylpiperidin-1-yl]propyl]benzamide?
The InChIKey is WGYNEWDWBQAFCM-CQSZACIVSA-N. The full InChI is InChI=1S/C18H28N2O/c1-14-6-4-10-20(13-14)11-5-9-19-18(21)17-8-7-15(2)16(3)12-17/h7-8,12,14H,4-6,9-11,13H2,1-3H3,(H,19,21)/t14-/m1/s1.
What are the key properties of 3,4-dimethyl-N-[3-[(3R)-3-methylpiperidin-1-yl]propyl]benzamide?
3,4-dimethyl-N-[3-[(3R)-3-methylpiperidin-1-yl]propyl]benzamide has a molecular weight of 288.44 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-N-[3-[(3R)-3-methylpiperidin-1-yl]propyl]benzamide is sourced from PubChem (CID 94119693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).