N-[1-(2,4-dimethylphenyl)propyl]-4-(piperidin-1-ylmethyl)benzamide

C24H32N2O — CID 46766789

IUPACN-[1-(2,4-dimethylphenyl)propyl]-4-(piperidin-1-ylmethyl)benzamide
SMILESCCC(NC(=O)c1ccc(CN2CCCCC2)cc1)c1ccc(C)cc1C
InChIInChI=1S/C24H32N2O/c1-4-23(22-13-8-18(2)16-19(22)3)25-24(27)21-11-9-20(10-12-21)17-26-14-6-5-7-15-26/h8-13,16,23H,4-7,14-15,17H2,1-3H3,(H,25,27)
InChIKeyLIBHIQSOLWLAOM-UHFFFAOYSA-N
MW364.53 g/mol
LogP5.17
Rot. Bonds6

About N-[1-(2,4-dimethylphenyl)propyl]-4-(piperidin-1-ylmethyl)benzamide

N-[1-(2,4-dimethylphenyl)propyl]-4-(piperidin-1-ylmethyl)benzamide (PubChem CID 46766789) has the molecular formula C24H32N2O and a molecular weight of 364.53 g/mol. Its IUPAC name is N-[1-(2,4-dimethylphenyl)propyl]-4-(piperidin-1-ylmethyl)benzamide.

Molecular Properties

Compound NameN-[1-(2,4-dimethylphenyl)propyl]-4-(piperidin-1-ylmethyl)benzamide
PubChem CID46766789
Molecular FormulaC24H32N2O
Molecular Weight364.53 g/mol
Exact Mass364.25
IUPAC NameN-[1-(2,4-dimethylphenyl)propyl]-4-(piperidin-1-ylmethyl)benzamide
SMILESCCC(NC(=O)c1ccc(CN2CCCCC2)cc1)c1ccc(C)cc1C
InChIInChI=1S/C24H32N2O/c1-4-23(22-13-8-18(2)16-19(22)3)25-24(27)21-11-9-20(10-12-21)17-26-14-6-5-7-15-26/h8-13,16,23H,4-7,14-15,17H2,1-3H3,(H,25,27)
InChIKeyLIBHIQSOLWLAOM-UHFFFAOYSA-N
XLogP5.17
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.53
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(azepan-1-ylmethyl)-N-[(1R)-1-(2,4-dimethylphenyl)propyl]benzamide
CID 94014120
N-[(1R)-1-(2,4-dimethylphenyl)propyl]-4-(pyrrolidin-1-ylmethyl)benzamide
CID 94014114
4-(azepan-1-ylmethyl)-N-[(1S)-1-(4-methylphenyl)propyl]benzamide
CID 94024816
N-[(1R)-1-(2,4-dimethylphenyl)propyl]-1-[(4-methylphenyl)methyl]piperidine-4-carboxamide
CID 94014092
N-[1-(5-methyl-2-pyridinyl)propyl]-4-(piperidin-1-ylmethyl)benzamide
CID 131939571
N-[(1R)-1-(3,4-dimethylphenyl)propyl]-4-(pyrrolidin-1-ylmethyl)benzamide
CID 94014052
N-[(1R)-1-(2,4-dimethylphenyl)propyl]-4-(imidazol-1-ylmethyl)benzamide
CID 94014126
N-[1-(2,4-dimethylphenyl)propyl]-4-(imidazol-1-ylmethyl)benzamide
CID 46766795
N-(3-methylbutan-2-yl)-4-(piperidin-1-ylmethyl)benzamide
CID 133249904
4-(azepan-1-ylmethyl)-N-[(1R)-1-(3,4-dimethoxyphenyl)propyl]benzamide
CID 94014174
N-[1-(2,4-dimethylphenyl)propyl]-4-propan-2-yloxybenzamide
CID 132651077
1-[(3-chlorophenyl)methyl]-N-[(1R)-1-(2,4-dimethylphenyl)propyl]piperidine-4-carboxamide
CID 94014096

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-dimethylphenyl)propyl]-4-(piperidin-1-ylmethyl)benzamide?
The IUPAC name of N-[1-(2,4-dimethylphenyl)propyl]-4-(piperidin-1-ylmethyl)benzamide (CID 46766789) is N-[1-(2,4-dimethylphenyl)propyl]-4-(piperidin-1-ylmethyl)benzamide.
What is the SMILES notation for N-[1-(2,4-dimethylphenyl)propyl]-4-(piperidin-1-ylmethyl)benzamide?
The canonical SMILES for N-[1-(2,4-dimethylphenyl)propyl]-4-(piperidin-1-ylmethyl)benzamide is CCC(NC(=O)c1ccc(CN2CCCCC2)cc1)c1ccc(C)cc1C.
What is the InChIKey of N-[1-(2,4-dimethylphenyl)propyl]-4-(piperidin-1-ylmethyl)benzamide?
The InChIKey is LIBHIQSOLWLAOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O/c1-4-23(22-13-8-18(2)16-19(22)3)25-24(27)21-11-9-20(10-12-21)17-26-14-6-5-7-15-26/h8-13,16,23H,4-7,14-15,17H2,1-3H3,(H,25,27).
What are the key properties of N-[1-(2,4-dimethylphenyl)propyl]-4-(piperidin-1-ylmethyl)benzamide?
N-[1-(2,4-dimethylphenyl)propyl]-4-(piperidin-1-ylmethyl)benzamide has a molecular weight of 364.53 g/mol, XLogP of 5.17, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,4-dimethylphenyl)propyl]-4-(piperidin-1-ylmethyl)benzamide is sourced from PubChem (CID 46766789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).