4-[[3-(4-methoxyphenoxy)phenyl]methyl]-N-phenylpiperazine-1-carboxamide

C25H27N3O3 — CID 11553493

IUPAC4-[[3-(4-methoxyphenoxy)phenyl]methyl]-N-phenylpiperazine-1-carboxamide
SMILESCOc1ccc(Oc2cccc(CN3CCN(C(=O)Nc4ccccc4)CC3)c2)cc1
InChIInChI=1S/C25H27N3O3/c1-30-22-10-12-23(13-11-22)31-24-9-5-6-20(18-24)19-27-14-16-28(17-15-27)25(29)26-21-7-3-2-4-8-21/h2-13,18H,14-17,19H2,1H3,(H,26,29)
InChIKeyZCBMBTNOASDXMI-UHFFFAOYSA-N
MW417.51 g/mol
LogP4.84
Rot. Bonds6

About 4-[[3-(4-methoxyphenoxy)phenyl]methyl]-N-phenylpiperazine-1-carboxamide

4-[[3-(4-methoxyphenoxy)phenyl]methyl]-N-phenylpiperazine-1-carboxamide (PubChem CID 11553493) has the molecular formula C25H27N3O3 and a molecular weight of 417.51 g/mol. Its IUPAC name is 4-[[3-(4-methoxyphenoxy)phenyl]methyl]-N-phenylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-[[3-(4-methoxyphenoxy)phenyl]methyl]-N-phenylpiperazine-1-carboxamide
PubChem CID11553493
Molecular FormulaC25H27N3O3
Molecular Weight417.51 g/mol
Exact Mass417.21
IUPAC Name4-[[3-(4-methoxyphenoxy)phenyl]methyl]-N-phenylpiperazine-1-carboxamide
SMILESCOc1ccc(Oc2cccc(CN3CCN(C(=O)Nc4ccccc4)CC3)c2)cc1
InChIInChI=1S/C25H27N3O3/c1-30-22-10-12-23(13-11-22)31-24-9-5-6-20(18-24)19-27-14-16-28(17-15-27)25(29)26-21-7-3-2-4-8-21/h2-13,18H,14-17,19H2,1H3,(H,26,29)
InChIKeyZCBMBTNOASDXMI-UHFFFAOYSA-N
XLogP4.84
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.51
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[3-(4-methoxyphenoxy)phenyl]methyl]-N-phenylpiperazine-1-carboxamide?
The IUPAC name of 4-[[3-(4-methoxyphenoxy)phenyl]methyl]-N-phenylpiperazine-1-carboxamide (CID 11553493) is 4-[[3-(4-methoxyphenoxy)phenyl]methyl]-N-phenylpiperazine-1-carboxamide.
What is the SMILES notation for 4-[[3-(4-methoxyphenoxy)phenyl]methyl]-N-phenylpiperazine-1-carboxamide?
The canonical SMILES for 4-[[3-(4-methoxyphenoxy)phenyl]methyl]-N-phenylpiperazine-1-carboxamide is COc1ccc(Oc2cccc(CN3CCN(C(=O)Nc4ccccc4)CC3)c2)cc1.
What is the InChIKey of 4-[[3-(4-methoxyphenoxy)phenyl]methyl]-N-phenylpiperazine-1-carboxamide?
The InChIKey is ZCBMBTNOASDXMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O3/c1-30-22-10-12-23(13-11-22)31-24-9-5-6-20(18-24)19-27-14-16-28(17-15-27)25(29)26-21-7-3-2-4-8-21/h2-13,18H,14-17,19H2,1H3,(H,26,29).
What are the key properties of 4-[[3-(4-methoxyphenoxy)phenyl]methyl]-N-phenylpiperazine-1-carboxamide?
4-[[3-(4-methoxyphenoxy)phenyl]methyl]-N-phenylpiperazine-1-carboxamide has a molecular weight of 417.51 g/mol, XLogP of 4.84, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(4-methoxyphenoxy)phenyl]methyl]-N-phenylpiperazine-1-carboxamide is sourced from PubChem (CID 11553493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).