[2-[bis(4-methoxyphenyl)methyl]-4-pyridinyl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone

C32H33N3O4 — CID 18950554

IUPAC[2-[bis(4-methoxyphenyl)methyl]-4-pyridinyl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
SMILESCOc1ccc(C(c2ccc(OC)cc2)c2cc(C(=O)N3CCN(c4ccccc4OC)CC3)ccn2)cc1
InChIInChI=1S/C32H33N3O4/c1-37-26-12-8-23(9-13-26)31(24-10-14-27(38-2)15-11-24)28-22-25(16-17-33-28)32(36)35-20-18-34(19-21-35)29-6-4-5-7-30(29)39-3/h4-17,22,31H,18-21H2,1-3H3
InChIKeyUNURUFBLODLFNH-UHFFFAOYSA-N
MW523.63 g/mol
LogP5.25
Rot. Bonds8

About [2-[bis(4-methoxyphenyl)methyl]-4-pyridinyl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone

[2-[bis(4-methoxyphenyl)methyl]-4-pyridinyl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone (PubChem CID 18950554) has the molecular formula C32H33N3O4 and a molecular weight of 523.63 g/mol. Its IUPAC name is [2-[bis(4-methoxyphenyl)methyl]-4-pyridinyl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[2-[bis(4-methoxyphenyl)methyl]-4-pyridinyl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
PubChem CID18950554
Molecular FormulaC32H33N3O4
Molecular Weight523.63 g/mol
Exact Mass523.25
IUPAC Name[2-[bis(4-methoxyphenyl)methyl]-4-pyridinyl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
SMILESCOc1ccc(C(c2ccc(OC)cc2)c2cc(C(=O)N3CCN(c4ccccc4OC)CC3)ccn2)cc1
InChIInChI=1S/C32H33N3O4/c1-37-26-12-8-23(9-13-26)31(24-10-14-27(38-2)15-11-24)28-22-25(16-17-33-28)32(36)35-20-18-34(19-21-35)29-6-4-5-7-30(29)39-3/h4-17,22,31H,18-21H2,1-3H3
InChIKeyUNURUFBLODLFNH-UHFFFAOYSA-N
XLogP5.25
TPSA64.13 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500523.63
LogP ≤ 55.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [2-[bis(4-methoxyphenyl)methyl]-4-pyridinyl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone with MolForge

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Related Compounds

[2-[bis(4-methoxyphenyl)methyl]-4-pyridinyl]-[4-(2-chlorophenyl)piperazin-1-yl]methanone
CID 18950560
(3,4-dihydroxyphenyl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 113199237
[4-(2-methoxyphenyl)piperazin-1-yl]-(4-phenylmethoxyphenyl)methanone
CID 2994482
[2-[4-(2-methoxyphenyl)piperazine-1-carbonyl]phenyl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 4116089
[4-(2-methoxyphenyl)piperazin-1-yl]-[3-(1,3-thiazol-2-yl)phenyl]methanone
CID 110372121
N-(4-methoxyphenyl)-3-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-N-methylbenzenesulfonamide
CID 2597934
(4-methoxyphenyl)-(4-quinolin-8-ylpiperazin-1-yl)methanone
CID 113079735
(5-hydroxy-3-pyridinyl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 110854337
2,3-dihydro-1H-inden-5-yl-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 9118183
(2,6-dimethoxyphenyl)-[4-(2,5-dimethoxyphenyl)piperazin-1-yl]methanone
CID 113077809
[4-(2-methoxyphenyl)piperazin-1-yl]-(2,7-naphthyridin-1-yl)methanone
CID 167947502
[4-(azepan-1-yl)-2-pyridinyl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 109216068

Frequently Asked Questions

What is the IUPAC name of [2-[bis(4-methoxyphenyl)methyl]-4-pyridinyl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone?
The IUPAC name of [2-[bis(4-methoxyphenyl)methyl]-4-pyridinyl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone (CID 18950554) is [2-[bis(4-methoxyphenyl)methyl]-4-pyridinyl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone.
What is the SMILES notation for [2-[bis(4-methoxyphenyl)methyl]-4-pyridinyl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone?
The canonical SMILES for [2-[bis(4-methoxyphenyl)methyl]-4-pyridinyl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone is COc1ccc(C(c2ccc(OC)cc2)c2cc(C(=O)N3CCN(c4ccccc4OC)CC3)ccn2)cc1.
What is the InChIKey of [2-[bis(4-methoxyphenyl)methyl]-4-pyridinyl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone?
The InChIKey is UNURUFBLODLFNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H33N3O4/c1-37-26-12-8-23(9-13-26)31(24-10-14-27(38-2)15-11-24)28-22-25(16-17-33-28)32(36)35-20-18-34(19-21-35)29-6-4-5-7-30(29)39-3/h4-17,22,31H,18-21H2,1-3H3.
What are the key properties of [2-[bis(4-methoxyphenyl)methyl]-4-pyridinyl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone?
[2-[bis(4-methoxyphenyl)methyl]-4-pyridinyl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone has a molecular weight of 523.63 g/mol, XLogP of 5.25, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[bis(4-methoxyphenyl)methyl]-4-pyridinyl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 18950554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).