4-methoxy-N-[2-[4-(4-methoxybenzoyl)piperazin-1-yl]ethyl]benzamide

C22H27N3O4 — CID 2766050

IUPAC4-methoxy-N-[2-[4-(4-methoxybenzoyl)piperazin-1-yl]ethyl]benzamide
SMILESCOc1ccc(C(=O)NCCN2CCN(C(=O)c3ccc(OC)cc3)CC2)cc1
InChIInChI=1S/C22H27N3O4/c1-28-19-7-3-17(4-8-19)21(26)23-11-12-24-13-15-25(16-14-24)22(27)18-5-9-20(29-2)10-6-18/h3-10H,11-16H2,1-2H3,(H,23,26)
InChIKeyYAXREEZYZKNLPX-UHFFFAOYSA-N
MW397.48 g/mol
LogP1.89
Rot. Bonds7

About 4-methoxy-N-[2-[4-(4-methoxybenzoyl)piperazin-1-yl]ethyl]benzamide

4-methoxy-N-[2-[4-(4-methoxybenzoyl)piperazin-1-yl]ethyl]benzamide (PubChem CID 2766050) has the molecular formula C22H27N3O4 and a molecular weight of 397.48 g/mol. Its IUPAC name is 4-methoxy-N-[2-[4-(4-methoxybenzoyl)piperazin-1-yl]ethyl]benzamide.

Molecular Properties

Compound Name4-methoxy-N-[2-[4-(4-methoxybenzoyl)piperazin-1-yl]ethyl]benzamide
PubChem CID2766050
Molecular FormulaC22H27N3O4
Molecular Weight397.48 g/mol
Exact Mass397.20
IUPAC Name4-methoxy-N-[2-[4-(4-methoxybenzoyl)piperazin-1-yl]ethyl]benzamide
SMILESCOc1ccc(C(=O)NCCN2CCN(C(=O)c3ccc(OC)cc3)CC2)cc1
InChIInChI=1S/C22H27N3O4/c1-28-19-7-3-17(4-8-19)21(26)23-11-12-24-13-15-25(16-14-24)22(27)18-5-9-20(29-2)10-6-18/h3-10H,11-16H2,1-2H3,(H,23,26)
InChIKeyYAXREEZYZKNLPX-UHFFFAOYSA-N
XLogP1.89
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 51.89
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-(4-methoxybenzoyl)piperazin-1-yl]ethyl]benzamide?
The IUPAC name of 4-methoxy-N-[2-[4-(4-methoxybenzoyl)piperazin-1-yl]ethyl]benzamide (CID 2766050) is 4-methoxy-N-[2-[4-(4-methoxybenzoyl)piperazin-1-yl]ethyl]benzamide.
What is the SMILES notation for 4-methoxy-N-[2-[4-(4-methoxybenzoyl)piperazin-1-yl]ethyl]benzamide?
The canonical SMILES for 4-methoxy-N-[2-[4-(4-methoxybenzoyl)piperazin-1-yl]ethyl]benzamide is COc1ccc(C(=O)NCCN2CCN(C(=O)c3ccc(OC)cc3)CC2)cc1.
What is the InChIKey of 4-methoxy-N-[2-[4-(4-methoxybenzoyl)piperazin-1-yl]ethyl]benzamide?
The InChIKey is YAXREEZYZKNLPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O4/c1-28-19-7-3-17(4-8-19)21(26)23-11-12-24-13-15-25(16-14-24)22(27)18-5-9-20(29-2)10-6-18/h3-10H,11-16H2,1-2H3,(H,23,26).
What are the key properties of 4-methoxy-N-[2-[4-(4-methoxybenzoyl)piperazin-1-yl]ethyl]benzamide?
4-methoxy-N-[2-[4-(4-methoxybenzoyl)piperazin-1-yl]ethyl]benzamide has a molecular weight of 397.48 g/mol, XLogP of 1.89, 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-(4-methoxybenzoyl)piperazin-1-yl]ethyl]benzamide is sourced from PubChem (CID 2766050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).