2-anilino-4-[(4-benzoylpiperazin-1-yl)methyl]benzamide

C25H26N4O2 — CID 91305127

IUPAC2-anilino-4-[(4-benzoylpiperazin-1-yl)methyl]benzamide
SMILESNC(=O)c1ccc(CN2CCN(C(=O)c3ccccc3)CC2)cc1Nc1ccccc1
InChIInChI=1S/C25H26N4O2/c26-24(30)22-12-11-19(17-23(22)27-21-9-5-2-6-10-21)18-28-13-15-29(16-14-28)25(31)20-7-3-1-4-8-20/h1-12,17,27H,13-16,18H2,(H2,26,30)
InChIKeyLCHCTGXCPVLVSR-UHFFFAOYSA-N
MW414.51 g/mol
LogP3.49
Rot. Bonds6

About 2-anilino-4-[(4-benzoylpiperazin-1-yl)methyl]benzamide

2-anilino-4-[(4-benzoylpiperazin-1-yl)methyl]benzamide (PubChem CID 91305127) has the molecular formula C25H26N4O2 and a molecular weight of 414.51 g/mol. Its IUPAC name is 2-anilino-4-[(4-benzoylpiperazin-1-yl)methyl]benzamide.

Molecular Properties

Compound Name2-anilino-4-[(4-benzoylpiperazin-1-yl)methyl]benzamide
PubChem CID91305127
Molecular FormulaC25H26N4O2
Molecular Weight414.51 g/mol
Exact Mass414.21
IUPAC Name2-anilino-4-[(4-benzoylpiperazin-1-yl)methyl]benzamide
SMILESNC(=O)c1ccc(CN2CCN(C(=O)c3ccccc3)CC2)cc1Nc1ccccc1
InChIInChI=1S/C25H26N4O2/c26-24(30)22-12-11-19(17-23(22)27-21-9-5-2-6-10-21)18-28-13-15-29(16-14-28)25(31)20-7-3-1-4-8-20/h1-12,17,27H,13-16,18H2,(H2,26,30)
InChIKeyLCHCTGXCPVLVSR-UHFFFAOYSA-N
XLogP3.49
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.51
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2-anilinophenyl)-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]methanone
CID 39457794
tert-butyl 4-[(3-amino-4-anilinophenyl)methyl]piperazine-1-carboxylate
CID 138620623
(3-aminophenyl)-(4-benzylpiperazin-1-yl)methanone;dihydrochloride
CID 119826758
3-[[4-[3-(trifluoromethyl)benzoyl]piperazin-1-yl]methyl]benzamide
CID 86993504
(4-benzylpiperazin-1-yl)-pyridin-4-ylmethanone;hydrochloride
CID 110755805
[4-[(2-methylphenyl)methyl]piperazin-1-yl]-phenylmethanone
CID 780102
(4-benzyl-1,4-diazepan-1-yl)-[3-(pyrimidin-2-ylamino)phenyl]methanone
CID 46605705
2-(4-benzoylpiperazin-1-yl)-1-[4-[(3-methylphenyl)methyl]piperazin-1-yl]ethanone
CID 24677865
[4-[(4-imidazol-1-ylphenyl)methyl]piperazin-1-yl]-phenylmethanone
CID 75402169
4-(4-benzoylpiperazin-1-yl)-2-[(benzylamino)methyl]benzamide
CID 90845052
[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]-phenylmethanone;oxalic acid
CID 17366016
2-[[2-[4-(4-fluorobenzoyl)piperazin-1-yl]acetyl]amino]benzamide
CID 36877900

Frequently Asked Questions

What is the IUPAC name of 2-anilino-4-[(4-benzoylpiperazin-1-yl)methyl]benzamide?
The IUPAC name of 2-anilino-4-[(4-benzoylpiperazin-1-yl)methyl]benzamide (CID 91305127) is 2-anilino-4-[(4-benzoylpiperazin-1-yl)methyl]benzamide.
What is the SMILES notation for 2-anilino-4-[(4-benzoylpiperazin-1-yl)methyl]benzamide?
The canonical SMILES for 2-anilino-4-[(4-benzoylpiperazin-1-yl)methyl]benzamide is NC(=O)c1ccc(CN2CCN(C(=O)c3ccccc3)CC2)cc1Nc1ccccc1.
What is the InChIKey of 2-anilino-4-[(4-benzoylpiperazin-1-yl)methyl]benzamide?
The InChIKey is LCHCTGXCPVLVSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O2/c26-24(30)22-12-11-19(17-23(22)27-21-9-5-2-6-10-21)18-28-13-15-29(16-14-28)25(31)20-7-3-1-4-8-20/h1-12,17,27H,13-16,18H2,(H2,26,30).
What are the key properties of 2-anilino-4-[(4-benzoylpiperazin-1-yl)methyl]benzamide?
2-anilino-4-[(4-benzoylpiperazin-1-yl)methyl]benzamide has a molecular weight of 414.51 g/mol, XLogP of 3.49, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-4-[(4-benzoylpiperazin-1-yl)methyl]benzamide is sourced from PubChem (CID 91305127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).