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

C22H29N3O3 — CID 10643697

IUPAC3-methoxy-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]benzamide
SMILESCOc1cccc(C(=O)NCCCN2CCN(c3ccccc3OC)CC2)c1
InChIInChI=1S/C22H29N3O3/c1-27-19-8-5-7-18(17-19)22(26)23-11-6-12-24-13-15-25(16-14-24)20-9-3-4-10-21(20)28-2/h3-5,7-10,17H,6,11-16H2,1-2H3,(H,23,26)
InChIKeyKTPQCLNOFMRFDQ-UHFFFAOYSA-N
MW383.49 g/mol
LogP2.65
Rot. Bonds8

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

3-methoxy-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]benzamide (PubChem CID 10643697) has the molecular formula C22H29N3O3 and a molecular weight of 383.49 g/mol. Its IUPAC name is 3-methoxy-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]benzamide.

Molecular Properties

Compound Name3-methoxy-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]benzamide
PubChem CID10643697
Molecular FormulaC22H29N3O3
Molecular Weight383.49 g/mol
Exact Mass383.22
IUPAC Name3-methoxy-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]benzamide
SMILESCOc1cccc(C(=O)NCCCN2CCN(c3ccccc3OC)CC2)c1
InChIInChI=1S/C22H29N3O3/c1-27-19-8-5-7-18(17-19)22(26)23-11-6-12-24-13-15-25(16-14-24)20-9-3-4-10-21(20)28-2/h3-5,7-10,17H,6,11-16H2,1-2H3,(H,23,26)
InChIKeyKTPQCLNOFMRFDQ-UHFFFAOYSA-N
XLogP2.65
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.49
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]benzamide?
The IUPAC name of 3-methoxy-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]benzamide (CID 10643697) is 3-methoxy-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]benzamide.
What is the SMILES notation for 3-methoxy-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]benzamide?
The canonical SMILES for 3-methoxy-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]benzamide is COc1cccc(C(=O)NCCCN2CCN(c3ccccc3OC)CC2)c1.
What is the InChIKey of 3-methoxy-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]benzamide?
The InChIKey is KTPQCLNOFMRFDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O3/c1-27-19-8-5-7-18(17-19)22(26)23-11-6-12-24-13-15-25(16-14-24)20-9-3-4-10-21(20)28-2/h3-5,7-10,17H,6,11-16H2,1-2H3,(H,23,26).
What are the key properties of 3-methoxy-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]benzamide?
3-methoxy-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]benzamide has a molecular weight of 383.49 g/mol, XLogP of 2.65, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]benzamide is sourced from PubChem (CID 10643697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).