4-acetyl-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]benzamide

C24H31N3O3 — CID 11761374

IUPAC4-acetyl-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]benzamide
SMILESCOc1ccccc1N1CCN(CCCCNC(=O)c2ccc(C(C)=O)cc2)CC1
InChIInChI=1S/C24H31N3O3/c1-19(28)20-9-11-21(12-10-20)24(29)25-13-5-6-14-26-15-17-27(18-16-26)22-7-3-4-8-23(22)30-2/h3-4,7-12H,5-6,13-18H2,1-2H3,(H,25,29)
InChIKeyDVVWNKJEEQHCFZ-UHFFFAOYSA-N
MW409.53 g/mol
LogP3.23
Rot. Bonds9

About 4-acetyl-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]benzamide

4-acetyl-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]benzamide (PubChem CID 11761374) has the molecular formula C24H31N3O3 and a molecular weight of 409.53 g/mol. Its IUPAC name is 4-acetyl-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]benzamide.

Molecular Properties

Compound Name4-acetyl-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]benzamide
PubChem CID11761374
Molecular FormulaC24H31N3O3
Molecular Weight409.53 g/mol
Exact Mass409.24
IUPAC Name4-acetyl-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]benzamide
SMILESCOc1ccccc1N1CCN(CCCCNC(=O)c2ccc(C(C)=O)cc2)CC1
InChIInChI=1S/C24H31N3O3/c1-19(28)20-9-11-21(12-10-20)24(29)25-13-5-6-14-26-15-17-27(18-16-26)22-7-3-4-8-23(22)30-2/h3-4,7-12H,5-6,13-18H2,1-2H3,(H,25,29)
InChIKeyDVVWNKJEEQHCFZ-UHFFFAOYSA-N
XLogP3.23
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.53
LogP ≤ 53.23
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 4-acetyl-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]benzamide?
The IUPAC name of 4-acetyl-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]benzamide (CID 11761374) is 4-acetyl-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]benzamide.
What is the SMILES notation for 4-acetyl-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]benzamide?
The canonical SMILES for 4-acetyl-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]benzamide is COc1ccccc1N1CCN(CCCCNC(=O)c2ccc(C(C)=O)cc2)CC1.
What is the InChIKey of 4-acetyl-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]benzamide?
The InChIKey is DVVWNKJEEQHCFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O3/c1-19(28)20-9-11-21(12-10-20)24(29)25-13-5-6-14-26-15-17-27(18-16-26)22-7-3-4-8-23(22)30-2/h3-4,7-12H,5-6,13-18H2,1-2H3,(H,25,29).
What are the key properties of 4-acetyl-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]benzamide?
4-acetyl-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]benzamide has a molecular weight of 409.53 g/mol, XLogP of 3.23, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]benzamide is sourced from PubChem (CID 11761374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).