4-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-N-(pyridin-2-ylmethyl)benzamide

C25H28N4O2 — CID 46043442

IUPAC4-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-N-(pyridin-2-ylmethyl)benzamide
SMILESCOc1ccccc1N1CCN(Cc2ccc(C(=O)NCc3ccccn3)cc2)CC1
InChIInChI=1S/C25H28N4O2/c1-31-24-8-3-2-7-23(24)29-16-14-28(15-17-29)19-20-9-11-21(12-10-20)25(30)27-18-22-6-4-5-13-26-22/h2-13H,14-19H2,1H3,(H,27,30)
InChIKeyQATULCOWUNVRMI-UHFFFAOYSA-N
MW416.53 g/mol
LogP3.34
Rot. Bonds7

About 4-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-N-(pyridin-2-ylmethyl)benzamide

4-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-N-(pyridin-2-ylmethyl)benzamide (PubChem CID 46043442) has the molecular formula C25H28N4O2 and a molecular weight of 416.53 g/mol. Its IUPAC name is 4-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-N-(pyridin-2-ylmethyl)benzamide.

Molecular Properties

Compound Name4-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-N-(pyridin-2-ylmethyl)benzamide
PubChem CID46043442
Molecular FormulaC25H28N4O2
Molecular Weight416.53 g/mol
Exact Mass416.22
IUPAC Name4-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-N-(pyridin-2-ylmethyl)benzamide
SMILESCOc1ccccc1N1CCN(Cc2ccc(C(=O)NCc3ccccn3)cc2)CC1
InChIInChI=1S/C25H28N4O2/c1-31-24-8-3-2-7-23(24)29-16-14-28(15-17-29)19-20-9-11-21(12-10-20)25(30)27-18-22-6-4-5-13-26-22/h2-13H,14-19H2,1H3,(H,27,30)
InChIKeyQATULCOWUNVRMI-UHFFFAOYSA-N
XLogP3.34
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.53
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(4-benzylpiperazin-1-yl)methyl]-N-(pyridin-2-ylmethyl)benzamide
CID 46055500
4-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-N-(2-piperidin-1-ylethyl)benzamide
CID 46054193
5-[[4-(2-methylphenyl)piperazin-1-yl]methyl]-N-(pyridin-2-ylmethyl)furan-2-carboxamide
CID 46055568
4-(pyrazol-1-ylmethyl)-N-(pyridin-2-ylmethyl)benzamide
CID 18136251
N-[(4-tert-butylcyclohexylidene)amino]-4-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]benzamide
CID 126189667
4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-N-(pyridin-2-ylmethyl)benzamide
CID 99950072
4-(2-methoxyphenyl)-N-(2-pyridin-2-ylethyl)piperazine-1-carboxamide
CID 51274227
methyl 4-(pyridin-2-ylmethylcarbamoyl)benzoate
CID 9414602
(4-benzylpiperazin-1-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 108989464
4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-N-[(4-fluorophenyl)methyl]benzamide
CID 42858798
N-(furan-2-ylmethylideneamino)-4-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]benzamide
CID 3451411
4-(4-benzylpiperazin-1-yl)-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide
CID 109212679

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-N-(pyridin-2-ylmethyl)benzamide?
The IUPAC name of 4-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-N-(pyridin-2-ylmethyl)benzamide (CID 46043442) is 4-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-N-(pyridin-2-ylmethyl)benzamide.
What is the SMILES notation for 4-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-N-(pyridin-2-ylmethyl)benzamide?
The canonical SMILES for 4-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-N-(pyridin-2-ylmethyl)benzamide is COc1ccccc1N1CCN(Cc2ccc(C(=O)NCc3ccccn3)cc2)CC1.
What is the InChIKey of 4-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-N-(pyridin-2-ylmethyl)benzamide?
The InChIKey is QATULCOWUNVRMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O2/c1-31-24-8-3-2-7-23(24)29-16-14-28(15-17-29)19-20-9-11-21(12-10-20)25(30)27-18-22-6-4-5-13-26-22/h2-13H,14-19H2,1H3,(H,27,30).
What are the key properties of 4-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-N-(pyridin-2-ylmethyl)benzamide?
4-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-N-(pyridin-2-ylmethyl)benzamide has a molecular weight of 416.53 g/mol, XLogP of 3.34, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-N-(pyridin-2-ylmethyl)benzamide is sourced from PubChem (CID 46043442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).