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

C24H25N3O2 — CID 11682511

IUPAC4-[(3-phenoxyphenyl)methyl]-N-phenylpiperazine-1-carboxamide
SMILESO=C(Nc1ccccc1)N1CCN(Cc2cccc(Oc3ccccc3)c2)CC1
InChIInChI=1S/C24H25N3O2/c28-24(25-21-9-3-1-4-10-21)27-16-14-26(15-17-27)19-20-8-7-13-23(18-20)29-22-11-5-2-6-12-22/h1-13,18H,14-17,19H2,(H,25,28)
InChIKeyXVWZNBHOIBWEOU-UHFFFAOYSA-N
MW387.48 g/mol
LogP4.83
Rot. Bonds5

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

4-[(3-phenoxyphenyl)methyl]-N-phenylpiperazine-1-carboxamide (PubChem CID 11682511) has the molecular formula C24H25N3O2 and a molecular weight of 387.48 g/mol. Its IUPAC name is 4-[(3-phenoxyphenyl)methyl]-N-phenylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-[(3-phenoxyphenyl)methyl]-N-phenylpiperazine-1-carboxamide
PubChem CID11682511
Molecular FormulaC24H25N3O2
Molecular Weight387.48 g/mol
Exact Mass387.19
IUPAC Name4-[(3-phenoxyphenyl)methyl]-N-phenylpiperazine-1-carboxamide
SMILESO=C(Nc1ccccc1)N1CCN(Cc2cccc(Oc3ccccc3)c2)CC1
InChIInChI=1S/C24H25N3O2/c28-24(25-21-9-3-1-4-10-21)27-16-14-26(15-17-27)19-20-8-7-13-23(18-20)29-22-11-5-2-6-12-22/h1-13,18H,14-17,19H2,(H,25,28)
InChIKeyXVWZNBHOIBWEOU-UHFFFAOYSA-N
XLogP4.83
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.48
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(3-phenoxyphenyl)methyl]-N-phenylpiperazine-1-carboxamide?
The IUPAC name of 4-[(3-phenoxyphenyl)methyl]-N-phenylpiperazine-1-carboxamide (CID 11682511) is 4-[(3-phenoxyphenyl)methyl]-N-phenylpiperazine-1-carboxamide.
What is the SMILES notation for 4-[(3-phenoxyphenyl)methyl]-N-phenylpiperazine-1-carboxamide?
The canonical SMILES for 4-[(3-phenoxyphenyl)methyl]-N-phenylpiperazine-1-carboxamide is O=C(Nc1ccccc1)N1CCN(Cc2cccc(Oc3ccccc3)c2)CC1.
What is the InChIKey of 4-[(3-phenoxyphenyl)methyl]-N-phenylpiperazine-1-carboxamide?
The InChIKey is XVWZNBHOIBWEOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O2/c28-24(25-21-9-3-1-4-10-21)27-16-14-26(15-17-27)19-20-8-7-13-23(18-20)29-22-11-5-2-6-12-22/h1-13,18H,14-17,19H2,(H,25,28).
What are the key properties of 4-[(3-phenoxyphenyl)methyl]-N-phenylpiperazine-1-carboxamide?
4-[(3-phenoxyphenyl)methyl]-N-phenylpiperazine-1-carboxamide has a molecular weight of 387.48 g/mol, XLogP of 4.83, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-phenoxyphenyl)methyl]-N-phenylpiperazine-1-carboxamide is sourced from PubChem (CID 11682511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).