4-[4-(3-methoxy-4-pyridinyl)piperazine-1-carbonyl]-N-[(3-methylphenyl)methyl]benzamide

C26H28N4O3 — CID 167803049

IUPAC4-[4-(3-methoxy-4-pyridinyl)piperazine-1-carbonyl]-N-[(3-methylphenyl)methyl]benzamide
SMILESCOc1cnccc1N1CCN(C(=O)c2ccc(C(=O)NCc3cccc(C)c3)cc2)CC1
InChIInChI=1S/C26H28N4O3/c1-19-4-3-5-20(16-19)17-28-25(31)21-6-8-22(9-7-21)26(32)30-14-12-29(13-15-30)23-10-11-27-18-24(23)33-2/h3-11,16,18H,12-15,17H2,1-2H3,(H,28,31)
InChIKeyNNZHVEFDIDOPDQ-UHFFFAOYSA-N
MW444.54 g/mol
LogP3.29
Rot. Bonds6

About 4-[4-(3-methoxy-4-pyridinyl)piperazine-1-carbonyl]-N-[(3-methylphenyl)methyl]benzamide

4-[4-(3-methoxy-4-pyridinyl)piperazine-1-carbonyl]-N-[(3-methylphenyl)methyl]benzamide (PubChem CID 167803049) has the molecular formula C26H28N4O3 and a molecular weight of 444.54 g/mol. Its IUPAC name is 4-[4-(3-methoxy-4-pyridinyl)piperazine-1-carbonyl]-N-[(3-methylphenyl)methyl]benzamide.

Molecular Properties

Compound Name4-[4-(3-methoxy-4-pyridinyl)piperazine-1-carbonyl]-N-[(3-methylphenyl)methyl]benzamide
PubChem CID167803049
Molecular FormulaC26H28N4O3
Molecular Weight444.54 g/mol
Exact Mass444.22
IUPAC Name4-[4-(3-methoxy-4-pyridinyl)piperazine-1-carbonyl]-N-[(3-methylphenyl)methyl]benzamide
SMILESCOc1cnccc1N1CCN(C(=O)c2ccc(C(=O)NCc3cccc(C)c3)cc2)CC1
InChIInChI=1S/C26H28N4O3/c1-19-4-3-5-20(16-19)17-28-25(31)21-6-8-22(9-7-21)26(32)30-14-12-29(13-15-30)23-10-11-27-18-24(23)33-2/h3-11,16,18H,12-15,17H2,1-2H3,(H,28,31)
InChIKeyNNZHVEFDIDOPDQ-UHFFFAOYSA-N
XLogP3.29
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.54
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(4-ethylpiperazine-1-carbonyl)-N-[(3-methylphenyl)methyl]pyridine-3-carboxamide
CID 109104539
N-[(3-methylphenyl)methyl]-4-(3-methyl-4-pyridinyl)-1,4-diazepane-1-carboxamide
CID 119063057
2-(4-acetylpiperazin-1-yl)-N-[(3-methylphenyl)methyl]pyrimidine-5-carboxamide
CID 109254741
N-(pyridin-3-ylmethyl)-4-(pyrrolidine-1-carbonyl)benzamide
CID 109044237
N-[(3-methylphenyl)methyl]-4-pyrrolidin-1-ylbenzamide
CID 110295113
N-[3-[ethyl(methyl)carbamoyl]phenyl]-4-(3-methoxy-4-pyridinyl)piperazine-1-carboxamide
CID 136542763
5-N-(3-methoxyphenyl)-3-N-[(3-methylphenyl)methyl]pyridine-3,5-dicarboxamide
CID 109105232
5-N-(2-methoxy-5-methylphenyl)-3-N-[(3-methylphenyl)methyl]pyridine-3,5-dicarboxamide
CID 109105236
2-(4-ethylpiperazine-1-carbonyl)-N-[(3-methylphenyl)methyl]pyridine-4-carboxamide
CID 109084527
5-(azepan-1-yl)-N-[(3-methylphenyl)methyl]pyridine-3-carboxamide
CID 109232264
N-[(3-methylphenyl)methyl]-5-piperidin-1-ylpyridine-3-carboxamide
CID 109226461
3-fluoro-4-methoxy-N-[(3-methylphenyl)methyl]benzamide
CID 38293920

Frequently Asked Questions

What is the IUPAC name of 4-[4-(3-methoxy-4-pyridinyl)piperazine-1-carbonyl]-N-[(3-methylphenyl)methyl]benzamide?
The IUPAC name of 4-[4-(3-methoxy-4-pyridinyl)piperazine-1-carbonyl]-N-[(3-methylphenyl)methyl]benzamide (CID 167803049) is 4-[4-(3-methoxy-4-pyridinyl)piperazine-1-carbonyl]-N-[(3-methylphenyl)methyl]benzamide.
What is the SMILES notation for 4-[4-(3-methoxy-4-pyridinyl)piperazine-1-carbonyl]-N-[(3-methylphenyl)methyl]benzamide?
The canonical SMILES for 4-[4-(3-methoxy-4-pyridinyl)piperazine-1-carbonyl]-N-[(3-methylphenyl)methyl]benzamide is COc1cnccc1N1CCN(C(=O)c2ccc(C(=O)NCc3cccc(C)c3)cc2)CC1.
What is the InChIKey of 4-[4-(3-methoxy-4-pyridinyl)piperazine-1-carbonyl]-N-[(3-methylphenyl)methyl]benzamide?
The InChIKey is NNZHVEFDIDOPDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O3/c1-19-4-3-5-20(16-19)17-28-25(31)21-6-8-22(9-7-21)26(32)30-14-12-29(13-15-30)23-10-11-27-18-24(23)33-2/h3-11,16,18H,12-15,17H2,1-2H3,(H,28,31).
What are the key properties of 4-[4-(3-methoxy-4-pyridinyl)piperazine-1-carbonyl]-N-[(3-methylphenyl)methyl]benzamide?
4-[4-(3-methoxy-4-pyridinyl)piperazine-1-carbonyl]-N-[(3-methylphenyl)methyl]benzamide has a molecular weight of 444.54 g/mol, XLogP of 3.29, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(3-methoxy-4-pyridinyl)piperazine-1-carbonyl]-N-[(3-methylphenyl)methyl]benzamide is sourced from PubChem (CID 167803049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).