[4-(benzylamino)-2-methoxyphenyl]-(4-phenylpiperazin-1-yl)methanone

C25H27N3O2 — CID 68579259

IUPAC[4-(benzylamino)-2-methoxyphenyl]-(4-phenylpiperazin-1-yl)methanone
SMILESCOc1cc(NCc2ccccc2)ccc1C(=O)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C25H27N3O2/c1-30-24-18-21(26-19-20-8-4-2-5-9-20)12-13-23(24)25(29)28-16-14-27(15-17-28)22-10-6-3-7-11-22/h2-13,18,26H,14-17,19H2,1H3
InChIKeyVOBIDYACOKIZDN-UHFFFAOYSA-N
MW401.51 g/mol
LogP4.27
Rot. Bonds6

About [4-(benzylamino)-2-methoxyphenyl]-(4-phenylpiperazin-1-yl)methanone

[4-(benzylamino)-2-methoxyphenyl]-(4-phenylpiperazin-1-yl)methanone (PubChem CID 68579259) has the molecular formula C25H27N3O2 and a molecular weight of 401.51 g/mol. Its IUPAC name is [4-(benzylamino)-2-methoxyphenyl]-(4-phenylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[4-(benzylamino)-2-methoxyphenyl]-(4-phenylpiperazin-1-yl)methanone
PubChem CID68579259
Molecular FormulaC25H27N3O2
Molecular Weight401.51 g/mol
Exact Mass401.21
IUPAC Name[4-(benzylamino)-2-methoxyphenyl]-(4-phenylpiperazin-1-yl)methanone
SMILESCOc1cc(NCc2ccccc2)ccc1C(=O)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C25H27N3O2/c1-30-24-18-21(26-19-20-8-4-2-5-9-20)12-13-23(24)25(29)28-16-14-27(15-17-28)22-10-6-3-7-11-22/h2-13,18,26H,14-17,19H2,1H3
InChIKeyVOBIDYACOKIZDN-UHFFFAOYSA-N
XLogP4.27
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.51
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(benzylamino)-2-nitrophenyl]-(4-phenylpiperazin-1-yl)methanone
CID 151963831
methyl 4-(benzylamino)-2-methoxybenzoate
CID 23068026
[5-(benzylamino)-2-pyridinyl]-(4-phenylpiperazin-1-yl)methanone
CID 109188000
[4-[3-(benzylamino)-4-nitrophenyl]piperazin-1-yl]-(2-methoxyphenyl)methanone
CID 2902474
(4-phenylpiperazin-1-yl)-(2,3,4-trimethoxyphenyl)methanone
CID 7892809
[2-[(4-methoxyphenyl)methylamino]-4-methylpyrimidin-5-yl]-(4-phenylpiperazin-1-yl)methanone
CID 20959729
[4-(benzylamino)-3-methylphenyl]-(4-phenylpiperazin-1-yl)methanone
CID 68579354
2-(3,4-dimethoxyphenyl)-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]acetamide
CID 4212754
[4-(naphthalen-2-ylmethylamino)phenyl]-(4-phenylpiperazin-1-yl)methanone
CID 91187389
(2-methoxyphenyl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 937879
N-benzyl-4-(3,4-dimethoxyphenyl)piperazine-1-carboxamide
CID 110363825
(2,4-dimethoxyphenyl)-(4-pyridin-4-ylpiperazin-1-yl)methanone
CID 9228487

Frequently Asked Questions

What is the IUPAC name of [4-(benzylamino)-2-methoxyphenyl]-(4-phenylpiperazin-1-yl)methanone?
The IUPAC name of [4-(benzylamino)-2-methoxyphenyl]-(4-phenylpiperazin-1-yl)methanone (CID 68579259) is [4-(benzylamino)-2-methoxyphenyl]-(4-phenylpiperazin-1-yl)methanone.
What is the SMILES notation for [4-(benzylamino)-2-methoxyphenyl]-(4-phenylpiperazin-1-yl)methanone?
The canonical SMILES for [4-(benzylamino)-2-methoxyphenyl]-(4-phenylpiperazin-1-yl)methanone is COc1cc(NCc2ccccc2)ccc1C(=O)N1CCN(c2ccccc2)CC1.
What is the InChIKey of [4-(benzylamino)-2-methoxyphenyl]-(4-phenylpiperazin-1-yl)methanone?
The InChIKey is VOBIDYACOKIZDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O2/c1-30-24-18-21(26-19-20-8-4-2-5-9-20)12-13-23(24)25(29)28-16-14-27(15-17-28)22-10-6-3-7-11-22/h2-13,18,26H,14-17,19H2,1H3.
What are the key properties of [4-(benzylamino)-2-methoxyphenyl]-(4-phenylpiperazin-1-yl)methanone?
[4-(benzylamino)-2-methoxyphenyl]-(4-phenylpiperazin-1-yl)methanone has a molecular weight of 401.51 g/mol, XLogP of 4.27, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(benzylamino)-2-methoxyphenyl]-(4-phenylpiperazin-1-yl)methanone is sourced from PubChem (CID 68579259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).