(4-benzhydrylpiperazin-1-yl)-[2-methoxy-6-(4-methoxyphenyl)-3-pyridinyl]methanone

C31H31N3O3 — CID 25097957

IUPAC(4-benzhydrylpiperazin-1-yl)-[2-methoxy-6-(4-methoxyphenyl)-3-pyridinyl]methanone
SMILESCOc1ccc(-c2ccc(C(=O)N3CCN(C(c4ccccc4)c4ccccc4)CC3)c(OC)n2)cc1
InChIInChI=1S/C31H31N3O3/c1-36-26-15-13-23(14-16-26)28-18-17-27(30(32-28)37-2)31(35)34-21-19-33(20-22-34)29(24-9-5-3-6-10-24)25-11-7-4-8-12-25/h3-18,29H,19-22H2,1-2H3
InChIKeyCPZBNOLXBIGUPE-UHFFFAOYSA-N
MW493.61 g/mol
LogP5.31
Rot. Bonds7

About (4-benzhydrylpiperazin-1-yl)-[2-methoxy-6-(4-methoxyphenyl)-3-pyridinyl]methanone

(4-benzhydrylpiperazin-1-yl)-[2-methoxy-6-(4-methoxyphenyl)-3-pyridinyl]methanone (PubChem CID 25097957) has the molecular formula C31H31N3O3 and a molecular weight of 493.61 g/mol. Its IUPAC name is (4-benzhydrylpiperazin-1-yl)-[2-methoxy-6-(4-methoxyphenyl)-3-pyridinyl]methanone.

Molecular Properties

Compound Name(4-benzhydrylpiperazin-1-yl)-[2-methoxy-6-(4-methoxyphenyl)-3-pyridinyl]methanone
PubChem CID25097957
Molecular FormulaC31H31N3O3
Molecular Weight493.61 g/mol
Exact Mass493.24
IUPAC Name(4-benzhydrylpiperazin-1-yl)-[2-methoxy-6-(4-methoxyphenyl)-3-pyridinyl]methanone
SMILESCOc1ccc(-c2ccc(C(=O)N3CCN(C(c4ccccc4)c4ccccc4)CC3)c(OC)n2)cc1
InChIInChI=1S/C31H31N3O3/c1-36-26-15-13-23(14-16-26)28-18-17-27(30(32-28)37-2)31(35)34-21-19-33(20-22-34)29(24-9-5-3-6-10-24)25-11-7-4-8-12-25/h3-18,29H,19-22H2,1-2H3
InChIKeyCPZBNOLXBIGUPE-UHFFFAOYSA-N
XLogP5.31
TPSA54.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.61
LogP ≤ 55.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (4-benzhydrylpiperazin-1-yl)-[2-methoxy-6-(4-methoxyphenyl)-3-pyridinyl]methanone with MolForge

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Related Compounds

(4-benzhydrylpiperazin-1-yl)-[2-(4-methoxyphenyl)quinolin-4-yl]methanone
CID 4273485
(4-benzhydrylpiperazin-1-yl)-(2-hydroxy-4-methoxyphenyl)methanone
CID 29262916
(4-benzhydrylpiperazin-1-yl)-[3-(4-methoxyphenyl)phenyl]methanone
CID 19430232
(4-benzhydrylpiperazin-1-yl)-[2-(4-methoxyphenyl)-3-methylquinolin-4-yl]methanone
CID 4080449
(4-benzhydrylpiperazin-1-yl)-[5-(4-methoxyphenyl)-1H-indol-2-yl]methanone
CID 71295856
(4-benzhydrylpiperazin-1-yl)-(2-hydroxy-3-methoxyphenyl)methanone
CID 112760338
[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-[2-methoxy-6-(4-methoxyphenyl)-3-pyridinyl]methanone
CID 25097680
[2-amino-6-(4-methoxyphenyl)-3-pyridinyl]-pyrrolidin-1-ylmethanone
CID 83571284
1-[[4-(4-methoxyphenyl)phenyl]-phenylmethyl]piperidine
CID 140569426
[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]-(3,5-dimethoxyphenyl)methanone
CID 46100556
(4-benzhydrylpiperazin-1-yl)-(4-methyl-2-phenylpyrimidin-5-yl)methanone
CID 100753052
(4-benzhydrylpiperazin-1-yl)-[3-(2,4-dimethoxyphenyl)-1-methylpyrazol-5-yl]methanone
CID 42759077

Frequently Asked Questions

What is the IUPAC name of (4-benzhydrylpiperazin-1-yl)-[2-methoxy-6-(4-methoxyphenyl)-3-pyridinyl]methanone?
The IUPAC name of (4-benzhydrylpiperazin-1-yl)-[2-methoxy-6-(4-methoxyphenyl)-3-pyridinyl]methanone (CID 25097957) is (4-benzhydrylpiperazin-1-yl)-[2-methoxy-6-(4-methoxyphenyl)-3-pyridinyl]methanone.
What is the SMILES notation for (4-benzhydrylpiperazin-1-yl)-[2-methoxy-6-(4-methoxyphenyl)-3-pyridinyl]methanone?
The canonical SMILES for (4-benzhydrylpiperazin-1-yl)-[2-methoxy-6-(4-methoxyphenyl)-3-pyridinyl]methanone is COc1ccc(-c2ccc(C(=O)N3CCN(C(c4ccccc4)c4ccccc4)CC3)c(OC)n2)cc1.
What is the InChIKey of (4-benzhydrylpiperazin-1-yl)-[2-methoxy-6-(4-methoxyphenyl)-3-pyridinyl]methanone?
The InChIKey is CPZBNOLXBIGUPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H31N3O3/c1-36-26-15-13-23(14-16-26)28-18-17-27(30(32-28)37-2)31(35)34-21-19-33(20-22-34)29(24-9-5-3-6-10-24)25-11-7-4-8-12-25/h3-18,29H,19-22H2,1-2H3.
What are the key properties of (4-benzhydrylpiperazin-1-yl)-[2-methoxy-6-(4-methoxyphenyl)-3-pyridinyl]methanone?
(4-benzhydrylpiperazin-1-yl)-[2-methoxy-6-(4-methoxyphenyl)-3-pyridinyl]methanone has a molecular weight of 493.61 g/mol, XLogP of 5.31, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzhydrylpiperazin-1-yl)-[2-methoxy-6-(4-methoxyphenyl)-3-pyridinyl]methanone is sourced from PubChem (CID 25097957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).