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

C21H27N3O3 — CID 10832895

IUPAC2-methoxy-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]benzamide
SMILESCOc1ccccc1C(=O)NCCN1CCN(c2ccccc2OC)CC1
InChIInChI=1S/C21H27N3O3/c1-26-19-9-5-3-7-17(19)21(25)22-11-12-23-13-15-24(16-14-23)18-8-4-6-10-20(18)27-2/h3-10H,11-16H2,1-2H3,(H,22,25)
InChIKeyLELUFGKRDMZHEF-UHFFFAOYSA-N
MW369.47 g/mol
LogP2.26
Rot. Bonds7

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

2-methoxy-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]benzamide (PubChem CID 10832895) has the molecular formula C21H27N3O3 and a molecular weight of 369.47 g/mol. Its IUPAC name is 2-methoxy-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]benzamide.

Molecular Properties

Compound Name2-methoxy-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]benzamide
PubChem CID10832895
Molecular FormulaC21H27N3O3
Molecular Weight369.47 g/mol
Exact Mass369.21
IUPAC Name2-methoxy-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]benzamide
SMILESCOc1ccccc1C(=O)NCCN1CCN(c2ccccc2OC)CC1
InChIInChI=1S/C21H27N3O3/c1-26-19-9-5-3-7-17(19)21(25)22-11-12-23-13-15-24(16-14-23)18-8-4-6-10-20(18)27-2/h3-10H,11-16H2,1-2H3,(H,22,25)
InChIKeyLELUFGKRDMZHEF-UHFFFAOYSA-N
XLogP2.26
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]benzamide?
The IUPAC name of 2-methoxy-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]benzamide (CID 10832895) is 2-methoxy-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]benzamide.
What is the SMILES notation for 2-methoxy-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]benzamide?
The canonical SMILES for 2-methoxy-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]benzamide is COc1ccccc1C(=O)NCCN1CCN(c2ccccc2OC)CC1.
What is the InChIKey of 2-methoxy-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]benzamide?
The InChIKey is LELUFGKRDMZHEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O3/c1-26-19-9-5-3-7-17(19)21(25)22-11-12-23-13-15-24(16-14-23)18-8-4-6-10-20(18)27-2/h3-10H,11-16H2,1-2H3,(H,22,25).
What are the key properties of 2-methoxy-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]benzamide?
2-methoxy-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]benzamide has a molecular weight of 369.47 g/mol, XLogP of 2.26, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]benzamide is sourced from PubChem (CID 10832895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).