N-(4-phenylmethoxyphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide

C24H26N4O2 — CID 3236785

IUPACN-(4-phenylmethoxyphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
SMILESO=C(CN1CCN(c2ccccn2)CC1)Nc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C24H26N4O2/c29-24(18-27-14-16-28(17-15-27)23-8-4-5-13-25-23)26-21-9-11-22(12-10-21)30-19-20-6-2-1-3-7-20/h1-13H,14-19H2,(H,26,29)
InChIKeyJVKCUNDONDXVPP-UHFFFAOYSA-N
MW402.50 g/mol
LogP3.42
Rot. Bonds7

About N-(4-phenylmethoxyphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide

N-(4-phenylmethoxyphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide (PubChem CID 3236785) has the molecular formula C24H26N4O2 and a molecular weight of 402.50 g/mol. Its IUPAC name is N-(4-phenylmethoxyphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-(4-phenylmethoxyphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
PubChem CID3236785
Molecular FormulaC24H26N4O2
Molecular Weight402.50 g/mol
Exact Mass402.21
IUPAC NameN-(4-phenylmethoxyphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
SMILESO=C(CN1CCN(c2ccccn2)CC1)Nc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C24H26N4O2/c29-24(18-27-14-16-28(17-15-27)23-8-4-5-13-25-23)26-21-9-11-22(12-10-21)30-19-20-6-2-1-3-7-20/h1-13H,14-19H2,(H,26,29)
InChIKeyJVKCUNDONDXVPP-UHFFFAOYSA-N
XLogP3.42
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.50
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-phenylmethoxyphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide?
The IUPAC name of N-(4-phenylmethoxyphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide (CID 3236785) is N-(4-phenylmethoxyphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide.
What is the SMILES notation for N-(4-phenylmethoxyphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide?
The canonical SMILES for N-(4-phenylmethoxyphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide is O=C(CN1CCN(c2ccccn2)CC1)Nc1ccc(OCc2ccccc2)cc1.
What is the InChIKey of N-(4-phenylmethoxyphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide?
The InChIKey is JVKCUNDONDXVPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O2/c29-24(18-27-14-16-28(17-15-27)23-8-4-5-13-25-23)26-21-9-11-22(12-10-21)30-19-20-6-2-1-3-7-20/h1-13H,14-19H2,(H,26,29).
What are the key properties of N-(4-phenylmethoxyphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide?
N-(4-phenylmethoxyphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide has a molecular weight of 402.50 g/mol, XLogP of 3.42, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-phenylmethoxyphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide is sourced from PubChem (CID 3236785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).