N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-4-morpholin-4-ylbenzamide

C26H36N4O3 — CID 11577696

IUPACN-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-4-morpholin-4-ylbenzamide
SMILESCOc1ccccc1N1CCN(CCCCNC(=O)c2ccc(N3CCOCC3)cc2)CC1
InChIInChI=1S/C26H36N4O3/c1-32-25-7-3-2-6-24(25)30-16-14-28(15-17-30)13-5-4-12-27-26(31)22-8-10-23(11-9-22)29-18-20-33-21-19-29/h2-3,6-11H,4-5,12-21H2,1H3,(H,27,31)
InChIKeyBQJVXLMFXRFJSZ-UHFFFAOYSA-N
MW452.60 g/mol
LogP2.86
Rot. Bonds9

About N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-4-morpholin-4-ylbenzamide

N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-4-morpholin-4-ylbenzamide (PubChem CID 11577696) has the molecular formula C26H36N4O3 and a molecular weight of 452.60 g/mol. Its IUPAC name is N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-4-morpholin-4-ylbenzamide.

Molecular Properties

Compound NameN-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-4-morpholin-4-ylbenzamide
PubChem CID11577696
Molecular FormulaC26H36N4O3
Molecular Weight452.60 g/mol
Exact Mass452.28
IUPAC NameN-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-4-morpholin-4-ylbenzamide
SMILESCOc1ccccc1N1CCN(CCCCNC(=O)c2ccc(N3CCOCC3)cc2)CC1
InChIInChI=1S/C26H36N4O3/c1-32-25-7-3-2-6-24(25)30-16-14-28(15-17-30)13-5-4-12-27-26(31)22-8-10-23(11-9-22)29-18-20-33-21-19-29/h2-3,6-11H,4-5,12-21H2,1H3,(H,27,31)
InChIKeyBQJVXLMFXRFJSZ-UHFFFAOYSA-N
XLogP2.86
TPSA57.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.60
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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 N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-4-morpholin-4-ylbenzamide?
The IUPAC name of N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-4-morpholin-4-ylbenzamide (CID 11577696) is N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-4-morpholin-4-ylbenzamide.
What is the SMILES notation for N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-4-morpholin-4-ylbenzamide?
The canonical SMILES for N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-4-morpholin-4-ylbenzamide is COc1ccccc1N1CCN(CCCCNC(=O)c2ccc(N3CCOCC3)cc2)CC1.
What is the InChIKey of N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-4-morpholin-4-ylbenzamide?
The InChIKey is BQJVXLMFXRFJSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36N4O3/c1-32-25-7-3-2-6-24(25)30-16-14-28(15-17-30)13-5-4-12-27-26(31)22-8-10-23(11-9-22)29-18-20-33-21-19-29/h2-3,6-11H,4-5,12-21H2,1H3,(H,27,31).
What are the key properties of N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-4-morpholin-4-ylbenzamide?
N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-4-morpholin-4-ylbenzamide has a molecular weight of 452.60 g/mol, XLogP of 2.86, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-4-morpholin-4-ylbenzamide is sourced from PubChem (CID 11577696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).