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

C21H27N3O3 — CID 10406796

IUPAC3-methoxy-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]benzamide
SMILESCOc1cccc(C(=O)NCCN2CCN(c3ccccc3OC)CC2)c1
InChIInChI=1S/C21H27N3O3/c1-26-18-7-5-6-17(16-18)21(25)22-10-11-23-12-14-24(15-13-23)19-8-3-4-9-20(19)27-2/h3-9,16H,10-15H2,1-2H3,(H,22,25)
InChIKeyLXCQKNOPMINDBU-UHFFFAOYSA-N
MW369.47 g/mol
LogP2.26
Rot. Bonds7

About 3-methoxy-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]benzamide

3-methoxy-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]benzamide (PubChem CID 10406796) has the molecular formula C21H27N3O3 and a molecular weight of 369.47 g/mol. Its IUPAC name is 3-methoxy-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]benzamide.

Molecular Properties

Compound Name3-methoxy-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]benzamide
PubChem CID10406796
Molecular FormulaC21H27N3O3
Molecular Weight369.47 g/mol
Exact Mass369.21
IUPAC Name3-methoxy-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]benzamide
SMILESCOc1cccc(C(=O)NCCN2CCN(c3ccccc3OC)CC2)c1
InChIInChI=1S/C21H27N3O3/c1-26-18-7-5-6-17(16-18)21(25)22-10-11-23-12-14-24(15-13-23)19-8-3-4-9-20(19)27-2/h3-9,16H,10-15H2,1-2H3,(H,22,25)
InChIKeyLXCQKNOPMINDBU-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 3-methoxy-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]benzamide?
The IUPAC name of 3-methoxy-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]benzamide (CID 10406796) is 3-methoxy-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]benzamide.
What is the SMILES notation for 3-methoxy-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]benzamide?
The canonical SMILES for 3-methoxy-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]benzamide is COc1cccc(C(=O)NCCN2CCN(c3ccccc3OC)CC2)c1.
What is the InChIKey of 3-methoxy-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]benzamide?
The InChIKey is LXCQKNOPMINDBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O3/c1-26-18-7-5-6-17(16-18)21(25)22-10-11-23-12-14-24(15-13-23)19-8-3-4-9-20(19)27-2/h3-9,16H,10-15H2,1-2H3,(H,22,25).
What are the key properties of 3-methoxy-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]benzamide?
3-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 3-methoxy-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]benzamide is sourced from PubChem (CID 10406796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).