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

C25H28N4O — CID 46055500

IUPAC4-[(4-benzylpiperazin-1-yl)methyl]-N-(pyridin-2-ylmethyl)benzamide
SMILESO=C(NCc1ccccn1)c1ccc(CN2CCN(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C25H28N4O/c30-25(27-18-24-8-4-5-13-26-24)23-11-9-22(10-12-23)20-29-16-14-28(15-17-29)19-21-6-2-1-3-7-21/h1-13H,14-20H2,(H,27,30)
InChIKeyMTGMQPMAZKMUPJ-UHFFFAOYSA-N
MW400.53 g/mol
LogP3.33
Rot. Bonds7

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

4-[(4-benzylpiperazin-1-yl)methyl]-N-(pyridin-2-ylmethyl)benzamide (PubChem CID 46055500) has the molecular formula C25H28N4O and a molecular weight of 400.53 g/mol. Its IUPAC name is 4-[(4-benzylpiperazin-1-yl)methyl]-N-(pyridin-2-ylmethyl)benzamide.

Molecular Properties

Compound Name4-[(4-benzylpiperazin-1-yl)methyl]-N-(pyridin-2-ylmethyl)benzamide
PubChem CID46055500
Molecular FormulaC25H28N4O
Molecular Weight400.53 g/mol
Exact Mass400.23
IUPAC Name4-[(4-benzylpiperazin-1-yl)methyl]-N-(pyridin-2-ylmethyl)benzamide
SMILESO=C(NCc1ccccn1)c1ccc(CN2CCN(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C25H28N4O/c30-25(27-18-24-8-4-5-13-26-24)23-11-9-22(10-12-23)20-29-16-14-28(15-17-29)19-21-6-2-1-3-7-21/h1-13H,14-20H2,(H,27,30)
InChIKeyMTGMQPMAZKMUPJ-UHFFFAOYSA-N
XLogP3.33
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.53
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-benzylpiperazin-1-yl)-N-(pyridin-2-ylmethyl)acetamide
CID 46488455
4-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-N-(pyridin-2-ylmethyl)benzamide
CID 46043442
4-(pyrazol-1-ylmethyl)-N-(pyridin-2-ylmethyl)benzamide
CID 18136251
4-(4-benzylpiperazin-1-yl)-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide
CID 109212679
4-(3-benzyl-4-oxo-1,3-thiazolidin-2-yl)-N-(pyridin-2-ylmethyl)benzamide
CID 5008223
4-[(2R)-3-benzyl-4-oxo-1,3-thiazolidin-2-yl]-N-(pyridin-2-ylmethyl)benzamide
CID 1280635
4-(imidazol-1-ylmethyl)-N-(pyridin-2-ylmethyl)benzamide
CID 43921854
4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-N-(pyridin-2-ylmethyl)benzamide
CID 99950072
4-(methylaminomethyl)-N-(pyridin-2-ylmethyl)benzamide
CID 90338069
4-[(4-methylphenyl)methyl]-N-(pyridin-2-ylmethyl)piperazine-1-carboxamide
CID 113107020
4-(acetamidomethyl)-N-(pyridin-2-ylmethyl)benzamide
CID 18107584
N-benzyl-4-(morpholin-4-ylmethyl)benzamide
CID 786772

Frequently Asked Questions

What is the IUPAC name of 4-[(4-benzylpiperazin-1-yl)methyl]-N-(pyridin-2-ylmethyl)benzamide?
The IUPAC name of 4-[(4-benzylpiperazin-1-yl)methyl]-N-(pyridin-2-ylmethyl)benzamide (CID 46055500) is 4-[(4-benzylpiperazin-1-yl)methyl]-N-(pyridin-2-ylmethyl)benzamide.
What is the SMILES notation for 4-[(4-benzylpiperazin-1-yl)methyl]-N-(pyridin-2-ylmethyl)benzamide?
The canonical SMILES for 4-[(4-benzylpiperazin-1-yl)methyl]-N-(pyridin-2-ylmethyl)benzamide is O=C(NCc1ccccn1)c1ccc(CN2CCN(Cc3ccccc3)CC2)cc1.
What is the InChIKey of 4-[(4-benzylpiperazin-1-yl)methyl]-N-(pyridin-2-ylmethyl)benzamide?
The InChIKey is MTGMQPMAZKMUPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O/c30-25(27-18-24-8-4-5-13-26-24)23-11-9-22(10-12-23)20-29-16-14-28(15-17-29)19-21-6-2-1-3-7-21/h1-13H,14-20H2,(H,27,30).
What are the key properties of 4-[(4-benzylpiperazin-1-yl)methyl]-N-(pyridin-2-ylmethyl)benzamide?
4-[(4-benzylpiperazin-1-yl)methyl]-N-(pyridin-2-ylmethyl)benzamide has a molecular weight of 400.53 g/mol, XLogP of 3.33, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-benzylpiperazin-1-yl)methyl]-N-(pyridin-2-ylmethyl)benzamide is sourced from PubChem (CID 46055500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).