N-methyl-4-[(4-phenylpiperazin-1-yl)methyl]benzamide

C19H23N3O — CID 1364206

IUPACN-methyl-4-[(4-phenylpiperazin-1-yl)methyl]benzamide
SMILESCNC(=O)c1ccc(CN2CCN(c3ccccc3)CC2)cc1
InChIInChI=1S/C19H23N3O/c1-20-19(23)17-9-7-16(8-10-17)15-21-11-13-22(14-12-21)18-5-3-2-4-6-18/h2-10H,11-15H2,1H3,(H,20,23)
InChIKeyDVQZNDCDDPSDJV-UHFFFAOYSA-N
MW309.41 g/mol
LogP2.37
Rot. Bonds4

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

N-methyl-4-[(4-phenylpiperazin-1-yl)methyl]benzamide (PubChem CID 1364206) has the molecular formula C19H23N3O and a molecular weight of 309.41 g/mol. Its IUPAC name is N-methyl-4-[(4-phenylpiperazin-1-yl)methyl]benzamide.

Molecular Properties

Compound NameN-methyl-4-[(4-phenylpiperazin-1-yl)methyl]benzamide
PubChem CID1364206
Molecular FormulaC19H23N3O
Molecular Weight309.41 g/mol
Exact Mass309.18
IUPAC NameN-methyl-4-[(4-phenylpiperazin-1-yl)methyl]benzamide
SMILESCNC(=O)c1ccc(CN2CCN(c3ccccc3)CC2)cc1
InChIInChI=1S/C19H23N3O/c1-20-19(23)17-9-7-16(8-10-17)15-21-11-13-22(14-12-21)18-5-3-2-4-6-18/h2-10H,11-15H2,1H3,(H,20,23)
InChIKeyDVQZNDCDDPSDJV-UHFFFAOYSA-N
XLogP2.37
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2R)-butan-2-yl]-4-[(4-phenylpiperazin-1-yl)methyl]benzamide
CID 1362793
2-[4-(carboxymethyl)-7-[[4-(methylcarbamoyl)phenyl]methyl]-1,4,7-triazonan-1-yl]acetic acid
CID 177187623
N-[(4-fluorophenyl)methyl]-4-[(4-phenylpiperazin-1-yl)methyl]benzamide
CID 42858918
4-[[4-[(4-phenylpiperazin-1-yl)methyl]benzoyl]amino]benzenesulfinic acid
CID 144711516
N-(3,4-dimethoxyphenyl)-4-[(4-phenylpiperazin-1-yl)methyl]benzamide
CID 1363715
4-(4-methylphenyl)-N-[4-[(4-phenylpiperazin-1-yl)methyl]phenyl]sulfonylbenzamide
CID 56656318
N-methyl-4-(piperazin-1-ylmethyl)benzamide
CID 82166251
4-[[2-(4-benzylpiperazin-1-yl)acetyl]amino]-N-methylbenzamide
CID 55409462
N-methyl-4-[5-methyl-4-[(4-phenylpiperazin-1-yl)methyl]-1,3-oxazol-2-yl]benzamide
CID 22577703
(4-methylpiperidin-1-yl)-[4-[(4-phenylpiperazin-1-yl)methyl]phenyl]methanone
CID 1137062
4-[[[C-(4-benzylpiperazin-1-yl)-N-methylcarbonimidoyl]amino]methyl]-N-methylbenzamide
CID 110959433
N-[(4-bromophenyl)methylideneamino]-4-[(4-phenylpiperazin-1-yl)methyl]benzamide
CID 3788046

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[(4-phenylpiperazin-1-yl)methyl]benzamide?
The IUPAC name of N-methyl-4-[(4-phenylpiperazin-1-yl)methyl]benzamide (CID 1364206) is N-methyl-4-[(4-phenylpiperazin-1-yl)methyl]benzamide.
What is the SMILES notation for N-methyl-4-[(4-phenylpiperazin-1-yl)methyl]benzamide?
The canonical SMILES for N-methyl-4-[(4-phenylpiperazin-1-yl)methyl]benzamide is CNC(=O)c1ccc(CN2CCN(c3ccccc3)CC2)cc1.
What is the InChIKey of N-methyl-4-[(4-phenylpiperazin-1-yl)methyl]benzamide?
The InChIKey is DVQZNDCDDPSDJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O/c1-20-19(23)17-9-7-16(8-10-17)15-21-11-13-22(14-12-21)18-5-3-2-4-6-18/h2-10H,11-15H2,1H3,(H,20,23).
What are the key properties of N-methyl-4-[(4-phenylpiperazin-1-yl)methyl]benzamide?
N-methyl-4-[(4-phenylpiperazin-1-yl)methyl]benzamide has a molecular weight of 309.41 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[(4-phenylpiperazin-1-yl)methyl]benzamide is sourced from PubChem (CID 1364206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).