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

C25H34N2O — CID 46766736

IUPACN-[1-(3,4-dimethylphenyl)propyl]-4-[(3-methylpiperidin-1-yl)methyl]benzamide
SMILESCCC(NC(=O)c1ccc(CN2CCCC(C)C2)cc1)c1ccc(C)c(C)c1
InChIInChI=1S/C25H34N2O/c1-5-24(23-11-8-19(3)20(4)15-23)26-25(28)22-12-9-21(10-13-22)17-27-14-6-7-18(2)16-27/h8-13,15,18,24H,5-7,14,16-17H2,1-4H3,(H,26,28)
InChIKeyGMPMMWYXWIIURO-UHFFFAOYSA-N
MW378.56 g/mol
LogP5.42
Rot. Bonds6

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

N-[1-(3,4-dimethylphenyl)propyl]-4-[(3-methylpiperidin-1-yl)methyl]benzamide (PubChem CID 46766736) has the molecular formula C25H34N2O and a molecular weight of 378.56 g/mol. Its IUPAC name is N-[1-(3,4-dimethylphenyl)propyl]-4-[(3-methylpiperidin-1-yl)methyl]benzamide.

Molecular Properties

Compound NameN-[1-(3,4-dimethylphenyl)propyl]-4-[(3-methylpiperidin-1-yl)methyl]benzamide
PubChem CID46766736
Molecular FormulaC25H34N2O
Molecular Weight378.56 g/mol
Exact Mass378.27
IUPAC NameN-[1-(3,4-dimethylphenyl)propyl]-4-[(3-methylpiperidin-1-yl)methyl]benzamide
SMILESCCC(NC(=O)c1ccc(CN2CCCC(C)C2)cc1)c1ccc(C)c(C)c1
InChIInChI=1S/C25H34N2O/c1-5-24(23-11-8-19(3)20(4)15-23)26-25(28)22-12-9-21(10-13-22)17-27-14-6-7-18(2)16-27/h8-13,15,18,24H,5-7,14,16-17H2,1-4H3,(H,26,28)
InChIKeyGMPMMWYXWIIURO-UHFFFAOYSA-N
XLogP5.42
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.56
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1S)-1-(3,4-dimethylphenyl)propyl]-4-[(4-methylpiperidin-1-yl)methyl]benzamide
CID 94014059
N-[(1R)-1-(3,4-dimethylphenyl)propyl]-4-(pyrrolidin-1-ylmethyl)benzamide
CID 94014052
N-[1-(4-methoxyphenyl)propyl]-4-[(3-methylpiperidin-1-yl)methyl]benzamide
CID 43876464
4-[(3-methylpiperidin-1-yl)methyl]-N-propan-2-ylbenzamide
CID 43885844
N-[(1R)-1-(4-ethylphenyl)ethyl]-4-[[(3S)-3-methylpiperidin-1-yl]methyl]benzamide
CID 125063633
4-(azepan-1-ylmethyl)-N-[(1S)-1-(4-methylphenyl)propyl]benzamide
CID 94024816
N-[(1R)-1-(4-fluorophenyl)ethyl]-4-[[(3R)-3-methylpiperidin-1-yl]methyl]benzamide
CID 99946484
4-(azepan-1-ylmethyl)-N-[(1R)-1-(3,4-dimethoxyphenyl)propyl]benzamide
CID 94014174
4-chloro-N-[(1S)-1-(3,4-dimethylphenyl)propyl]benzamide
CID 99994348
N-(2,6-dimethylphenyl)-4-[[(3R)-3-methylpiperidin-1-yl]methyl]benzamide
CID 93490404
N-(3,5-dimethylphenyl)-4-[[(3S)-3-methylpiperidin-1-yl]methyl]benzamide
CID 93490429
4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-[1-(4-methoxy-3-methylphenyl)propyl]benzamide
CID 133210076

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-dimethylphenyl)propyl]-4-[(3-methylpiperidin-1-yl)methyl]benzamide?
The IUPAC name of N-[1-(3,4-dimethylphenyl)propyl]-4-[(3-methylpiperidin-1-yl)methyl]benzamide (CID 46766736) is N-[1-(3,4-dimethylphenyl)propyl]-4-[(3-methylpiperidin-1-yl)methyl]benzamide.
What is the SMILES notation for N-[1-(3,4-dimethylphenyl)propyl]-4-[(3-methylpiperidin-1-yl)methyl]benzamide?
The canonical SMILES for N-[1-(3,4-dimethylphenyl)propyl]-4-[(3-methylpiperidin-1-yl)methyl]benzamide is CCC(NC(=O)c1ccc(CN2CCCC(C)C2)cc1)c1ccc(C)c(C)c1.
What is the InChIKey of N-[1-(3,4-dimethylphenyl)propyl]-4-[(3-methylpiperidin-1-yl)methyl]benzamide?
The InChIKey is GMPMMWYXWIIURO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N2O/c1-5-24(23-11-8-19(3)20(4)15-23)26-25(28)22-12-9-21(10-13-22)17-27-14-6-7-18(2)16-27/h8-13,15,18,24H,5-7,14,16-17H2,1-4H3,(H,26,28).
What are the key properties of N-[1-(3,4-dimethylphenyl)propyl]-4-[(3-methylpiperidin-1-yl)methyl]benzamide?
N-[1-(3,4-dimethylphenyl)propyl]-4-[(3-methylpiperidin-1-yl)methyl]benzamide has a molecular weight of 378.56 g/mol, XLogP of 5.42, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-dimethylphenyl)propyl]-4-[(3-methylpiperidin-1-yl)methyl]benzamide is sourced from PubChem (CID 46766736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).