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

C19H24N4O — CID 84614037

IUPACN-(4-aminophenyl)-4-[(4-methylpiperazin-1-yl)methyl]benzamide
SMILESCN1CCN(Cc2ccc(C(=O)Nc3ccc(N)cc3)cc2)CC1
InChIInChI=1S/C19H24N4O/c1-22-10-12-23(13-11-22)14-15-2-4-16(5-3-15)19(24)21-18-8-6-17(20)7-9-18/h2-9H,10-14,20H2,1H3,(H,21,24)
InChIKeyUWYXLZDZQRRZSM-UHFFFAOYSA-N
MW324.43 g/mol
LogP2.27
Rot. Bonds4

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

N-(4-aminophenyl)-4-[(4-methylpiperazin-1-yl)methyl]benzamide (PubChem CID 84614037) has the molecular formula C19H24N4O and a molecular weight of 324.43 g/mol. Its IUPAC name is N-(4-aminophenyl)-4-[(4-methylpiperazin-1-yl)methyl]benzamide.

Molecular Properties

Compound NameN-(4-aminophenyl)-4-[(4-methylpiperazin-1-yl)methyl]benzamide
PubChem CID84614037
Molecular FormulaC19H24N4O
Molecular Weight324.43 g/mol
Exact Mass324.20
IUPAC NameN-(4-aminophenyl)-4-[(4-methylpiperazin-1-yl)methyl]benzamide
SMILESCN1CCN(Cc2ccc(C(=O)Nc3ccc(N)cc3)cc2)CC1
InChIInChI=1S/C19H24N4O/c1-22-10-12-23(13-11-22)14-15-2-4-16(5-3-15)19(24)21-18-8-6-17(20)7-9-18/h2-9H,10-14,20H2,1H3,(H,21,24)
InChIKeyUWYXLZDZQRRZSM-UHFFFAOYSA-N
XLogP2.27
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-(dimethylamino)-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]benzamide
CID 108743672
[4-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]carbamoyl]phenyl] acetate
CID 108743623
ethyl [4-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]carbamoyl]phenyl] carbonate
CID 108765957
4-chloro-N-[4-[4-[(4-methyl-1,4-diazepan-1-yl)methyl]phenyl]phenyl]benzamide
CID 44524261
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
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-(azepan-1-ylmethyl)-N-(4-carbamoylphenyl)benzamide
CID 38105181
N-[4-(1-methylpiperidin-4-yl)oxyphenyl]-4-(piperidin-1-ylmethyl)benzamide
CID 53277962
N-[4-[(4-acetylpiperazin-1-yl)methyl]phenyl]-4-(5-amino-2-methylphenyl)benzamide
CID 68867201

Frequently Asked Questions

What is the IUPAC name of N-(4-aminophenyl)-4-[(4-methylpiperazin-1-yl)methyl]benzamide?
The IUPAC name of N-(4-aminophenyl)-4-[(4-methylpiperazin-1-yl)methyl]benzamide (CID 84614037) is N-(4-aminophenyl)-4-[(4-methylpiperazin-1-yl)methyl]benzamide.
What is the SMILES notation for N-(4-aminophenyl)-4-[(4-methylpiperazin-1-yl)methyl]benzamide?
The canonical SMILES for N-(4-aminophenyl)-4-[(4-methylpiperazin-1-yl)methyl]benzamide is CN1CCN(Cc2ccc(C(=O)Nc3ccc(N)cc3)cc2)CC1.
What is the InChIKey of N-(4-aminophenyl)-4-[(4-methylpiperazin-1-yl)methyl]benzamide?
The InChIKey is UWYXLZDZQRRZSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O/c1-22-10-12-23(13-11-22)14-15-2-4-16(5-3-15)19(24)21-18-8-6-17(20)7-9-18/h2-9H,10-14,20H2,1H3,(H,21,24).
What are the key properties of N-(4-aminophenyl)-4-[(4-methylpiperazin-1-yl)methyl]benzamide?
N-(4-aminophenyl)-4-[(4-methylpiperazin-1-yl)methyl]benzamide has a molecular weight of 324.43 g/mol, XLogP of 2.27, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminophenyl)-4-[(4-methylpiperazin-1-yl)methyl]benzamide is sourced from PubChem (CID 84614037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).