4-methoxy-N-[2-(4-phenylpiperazin-1-yl)-2-pyridin-3-ylethyl]benzamide

C25H28N4O2 — CID 3503407

IUPAC4-methoxy-N-[2-(4-phenylpiperazin-1-yl)-2-pyridin-3-ylethyl]benzamide
SMILESCOc1ccc(C(=O)NCC(c2cccnc2)N2CCN(c3ccccc3)CC2)cc1
InChIInChI=1S/C25H28N4O2/c1-31-23-11-9-20(10-12-23)25(30)27-19-24(21-6-5-13-26-18-21)29-16-14-28(15-17-29)22-7-3-2-4-8-22/h2-13,18,24H,14-17,19H2,1H3,(H,27,30)
InChIKeyBHAOOVSYWNMLJL-UHFFFAOYSA-N
MW416.53 g/mol
LogP3.38
Rot. Bonds7

About 4-methoxy-N-[2-(4-phenylpiperazin-1-yl)-2-pyridin-3-ylethyl]benzamide

4-methoxy-N-[2-(4-phenylpiperazin-1-yl)-2-pyridin-3-ylethyl]benzamide (PubChem CID 3503407) has the molecular formula C25H28N4O2 and a molecular weight of 416.53 g/mol. Its IUPAC name is 4-methoxy-N-[2-(4-phenylpiperazin-1-yl)-2-pyridin-3-ylethyl]benzamide.

Molecular Properties

Compound Name4-methoxy-N-[2-(4-phenylpiperazin-1-yl)-2-pyridin-3-ylethyl]benzamide
PubChem CID3503407
Molecular FormulaC25H28N4O2
Molecular Weight416.53 g/mol
Exact Mass416.22
IUPAC Name4-methoxy-N-[2-(4-phenylpiperazin-1-yl)-2-pyridin-3-ylethyl]benzamide
SMILESCOc1ccc(C(=O)NCC(c2cccnc2)N2CCN(c3ccccc3)CC2)cc1
InChIInChI=1S/C25H28N4O2/c1-31-23-11-9-20(10-12-23)25(30)27-19-24(21-6-5-13-26-18-21)29-16-14-28(15-17-29)22-7-3-2-4-8-22/h2-13,18,24H,14-17,19H2,1H3,(H,27,30)
InChIKeyBHAOOVSYWNMLJL-UHFFFAOYSA-N
XLogP3.38
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.53
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[2-(4-phenylpiperazin-1-yl)-2-pyridin-3-ylethyl]benzamide?
The IUPAC name of 4-methoxy-N-[2-(4-phenylpiperazin-1-yl)-2-pyridin-3-ylethyl]benzamide (CID 3503407) is 4-methoxy-N-[2-(4-phenylpiperazin-1-yl)-2-pyridin-3-ylethyl]benzamide.
What is the SMILES notation for 4-methoxy-N-[2-(4-phenylpiperazin-1-yl)-2-pyridin-3-ylethyl]benzamide?
The canonical SMILES for 4-methoxy-N-[2-(4-phenylpiperazin-1-yl)-2-pyridin-3-ylethyl]benzamide is COc1ccc(C(=O)NCC(c2cccnc2)N2CCN(c3ccccc3)CC2)cc1.
What is the InChIKey of 4-methoxy-N-[2-(4-phenylpiperazin-1-yl)-2-pyridin-3-ylethyl]benzamide?
The InChIKey is BHAOOVSYWNMLJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O2/c1-31-23-11-9-20(10-12-23)25(30)27-19-24(21-6-5-13-26-18-21)29-16-14-28(15-17-29)22-7-3-2-4-8-22/h2-13,18,24H,14-17,19H2,1H3,(H,27,30).
What are the key properties of 4-methoxy-N-[2-(4-phenylpiperazin-1-yl)-2-pyridin-3-ylethyl]benzamide?
4-methoxy-N-[2-(4-phenylpiperazin-1-yl)-2-pyridin-3-ylethyl]benzamide has a molecular weight of 416.53 g/mol, XLogP of 3.38, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[2-(4-phenylpiperazin-1-yl)-2-pyridin-3-ylethyl]benzamide is sourced from PubChem (CID 3503407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).