4-(dimethylamino)-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]benzamide

C21H28N4O — CID 108743672

IUPAC4-(dimethylamino)-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]benzamide
SMILESCN1CCN(Cc2ccc(NC(=O)c3ccc(N(C)C)cc3)cc2)CC1
InChIInChI=1S/C21H28N4O/c1-23(2)20-10-6-18(7-11-20)21(26)22-19-8-4-17(5-9-19)16-25-14-12-24(3)13-15-25/h4-11H,12-16H2,1-3H3,(H,22,26)
InChIKeyMCGPHAARGWMSGN-UHFFFAOYSA-N
MW352.48 g/mol
LogP2.75
Rot. Bonds5

About 4-(dimethylamino)-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]benzamide

4-(dimethylamino)-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]benzamide (PubChem CID 108743672) has the molecular formula C21H28N4O and a molecular weight of 352.48 g/mol. Its IUPAC name is 4-(dimethylamino)-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]benzamide.

Molecular Properties

Compound Name4-(dimethylamino)-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]benzamide
PubChem CID108743672
Molecular FormulaC21H28N4O
Molecular Weight352.48 g/mol
Exact Mass352.23
IUPAC Name4-(dimethylamino)-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]benzamide
SMILESCN1CCN(Cc2ccc(NC(=O)c3ccc(N(C)C)cc3)cc2)CC1
InChIInChI=1S/C21H28N4O/c1-23(2)20-10-6-18(7-11-20)21(26)22-19-8-4-17(5-9-19)16-25-14-12-24(3)13-15-25/h4-11H,12-16H2,1-3H3,(H,22,26)
InChIKeyMCGPHAARGWMSGN-UHFFFAOYSA-N
XLogP2.75
TPSA38.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-aminophenyl)-4-[(4-methylpiperazin-1-yl)methyl]benzamide
CID 84614037
[4-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]carbamoyl]phenyl] acetate
CID 108743623
4-chloro-N-[4-[4-[(4-methyl-1,4-diazepan-1-yl)methyl]phenyl]phenyl]benzamide
CID 44524261
4-(chloromethyl)-N-[4-(dimethylamino)phenyl]benzamide
CID 43617033
4-(azepan-1-ylmethyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]benzamide
CID 53278710
N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-2,3-dihydro-1-benzofuran-5-carboxamide
CID 55663526
ethyl [4-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]carbamoyl]phenyl] carbonate
CID 108765957
N-[4-(bromomethyl)phenyl]-4-(dimethylamino)benzamide
CID 114310879
N-(3-formyl-4-methylphenyl)-4-[(4-methylpiperazin-1-yl)methyl]benzamide
CID 87562064
methyl 3-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]carbamoyl]benzoate
CID 108743743
CID 163963196
CID 163963196
4-[[4-(dimethylamino)phenyl]carbamoyl]benzoyl chloride
CID 122527773

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]benzamide?
The IUPAC name of 4-(dimethylamino)-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]benzamide (CID 108743672) is 4-(dimethylamino)-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]benzamide.
What is the SMILES notation for 4-(dimethylamino)-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]benzamide?
The canonical SMILES for 4-(dimethylamino)-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]benzamide is CN1CCN(Cc2ccc(NC(=O)c3ccc(N(C)C)cc3)cc2)CC1.
What is the InChIKey of 4-(dimethylamino)-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]benzamide?
The InChIKey is MCGPHAARGWMSGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O/c1-23(2)20-10-6-18(7-11-20)21(26)22-19-8-4-17(5-9-19)16-25-14-12-24(3)13-15-25/h4-11H,12-16H2,1-3H3,(H,22,26).
What are the key properties of 4-(dimethylamino)-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]benzamide?
4-(dimethylamino)-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]benzamide has a molecular weight of 352.48 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]benzamide is sourced from PubChem (CID 108743672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).