N-[(1,4-dimethylpiperazin-2-yl)methyl]-4-(4-propylphenyl)benzamide

C23H31N3O — CID 121499620

IUPACN-[(1,4-dimethylpiperazin-2-yl)methyl]-4-(4-propylphenyl)benzamide
SMILESCCCc1ccc(-c2ccc(C(=O)NCC3CN(C)CCN3C)cc2)cc1
InChIInChI=1S/C23H31N3O/c1-4-5-18-6-8-19(9-7-18)20-10-12-21(13-11-20)23(27)24-16-22-17-25(2)14-15-26(22)3/h6-13,22H,4-5,14-17H2,1-3H3,(H,24,27)
InChIKeyCJACSRYGKQBCSJ-UHFFFAOYSA-N
MW365.52 g/mol
LogP3.28
Rot. Bonds6

About N-[(1,4-dimethylpiperazin-2-yl)methyl]-4-(4-propylphenyl)benzamide

N-[(1,4-dimethylpiperazin-2-yl)methyl]-4-(4-propylphenyl)benzamide (PubChem CID 121499620) has the molecular formula C23H31N3O and a molecular weight of 365.52 g/mol. Its IUPAC name is N-[(1,4-dimethylpiperazin-2-yl)methyl]-4-(4-propylphenyl)benzamide.

Molecular Properties

Compound NameN-[(1,4-dimethylpiperazin-2-yl)methyl]-4-(4-propylphenyl)benzamide
PubChem CID121499620
Molecular FormulaC23H31N3O
Molecular Weight365.52 g/mol
Exact Mass365.25
IUPAC NameN-[(1,4-dimethylpiperazin-2-yl)methyl]-4-(4-propylphenyl)benzamide
SMILESCCCc1ccc(-c2ccc(C(=O)NCC3CN(C)CCN3C)cc2)cc1
InChIInChI=1S/C23H31N3O/c1-4-5-18-6-8-19(9-7-18)20-10-12-21(13-11-20)23(27)24-16-22-17-25(2)14-15-26(22)3/h6-13,22H,4-5,14-17H2,1-3H3,(H,24,27)
InChIKeyCJACSRYGKQBCSJ-UHFFFAOYSA-N
XLogP3.28
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.52
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-[(1,4-dimethylpiperazin-2-yl)methyl]benzamide
CID 63884571
N-[[(2S)-1,4-dimethylpiperazin-2-yl]methyl]-4-[2-(hydroxymethyl)phenyl]benzamide
CID 126449025
N-[(1,4-dimethylpiperazin-2-yl)methyl]-4-hydroxy-3-methylbenzamide
CID 103957035
N-[(4-methyl-5-oxomorpholin-2-yl)methyl]-4-(4-propylphenyl)benzamide
CID 90651533
N-[(1,4-dimethylpiperazin-2-yl)methyl]-1H-pyrazole-4-carboxamide
CID 63897139
4-amino-N-[(1,4-dimethylpiperazin-2-yl)methyl]-3-methoxybenzamide
CID 104782948
4-[[(1,4-dimethylpiperazin-2-yl)methylamino]methyl]benzamide
CID 63898951
N-[(1,4-dimethylpiperazin-2-yl)methyl]-2-fluoropyridine-4-carboxamide
CID 63896737
3-carbamothioyl-N-[(1,4-dimethylpiperazin-2-yl)methyl]benzamide
CID 63897121
1-[4-(aminomethyl)phenyl]-3-[[(2R)-1,4-dimethylpiperazin-2-yl]methyl]urea
CID 95249435
N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-4-propylbenzamide
CID 70745919
3-chloro-N-[[(2S)-1,4-dimethylpiperazin-2-yl]methyl]thiophene-2-carboxamide
CID 129486680

Frequently Asked Questions

What is the IUPAC name of N-[(1,4-dimethylpiperazin-2-yl)methyl]-4-(4-propylphenyl)benzamide?
The IUPAC name of N-[(1,4-dimethylpiperazin-2-yl)methyl]-4-(4-propylphenyl)benzamide (CID 121499620) is N-[(1,4-dimethylpiperazin-2-yl)methyl]-4-(4-propylphenyl)benzamide.
What is the SMILES notation for N-[(1,4-dimethylpiperazin-2-yl)methyl]-4-(4-propylphenyl)benzamide?
The canonical SMILES for N-[(1,4-dimethylpiperazin-2-yl)methyl]-4-(4-propylphenyl)benzamide is CCCc1ccc(-c2ccc(C(=O)NCC3CN(C)CCN3C)cc2)cc1.
What is the InChIKey of N-[(1,4-dimethylpiperazin-2-yl)methyl]-4-(4-propylphenyl)benzamide?
The InChIKey is CJACSRYGKQBCSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O/c1-4-5-18-6-8-19(9-7-18)20-10-12-21(13-11-20)23(27)24-16-22-17-25(2)14-15-26(22)3/h6-13,22H,4-5,14-17H2,1-3H3,(H,24,27).
What are the key properties of N-[(1,4-dimethylpiperazin-2-yl)methyl]-4-(4-propylphenyl)benzamide?
N-[(1,4-dimethylpiperazin-2-yl)methyl]-4-(4-propylphenyl)benzamide has a molecular weight of 365.52 g/mol, XLogP of 3.28, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,4-dimethylpiperazin-2-yl)methyl]-4-(4-propylphenyl)benzamide is sourced from PubChem (CID 121499620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).