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

C24H34N4O2 — CID 53326601

IUPAC4-(dimethylamino)-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]benzamide
SMILESCOc1ccccc1N1CCN(CCCCNC(=O)c2ccc(N(C)C)cc2)CC1
InChIInChI=1S/C24H34N4O2/c1-26(2)21-12-10-20(11-13-21)24(29)25-14-6-7-15-27-16-18-28(19-17-27)22-8-4-5-9-23(22)30-3/h4-5,8-13H,6-7,14-19H2,1-3H3,(H,25,29)
InChIKeyLBZHOUJGVUYWGV-UHFFFAOYSA-N
MW410.56 g/mol
LogP3.09
Rot. Bonds9

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

4-(dimethylamino)-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]benzamide (PubChem CID 53326601) has the molecular formula C24H34N4O2 and a molecular weight of 410.56 g/mol. Its IUPAC name is 4-(dimethylamino)-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]benzamide.

Molecular Properties

Compound Name4-(dimethylamino)-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]benzamide
PubChem CID53326601
Molecular FormulaC24H34N4O2
Molecular Weight410.56 g/mol
Exact Mass410.27
IUPAC Name4-(dimethylamino)-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]benzamide
SMILESCOc1ccccc1N1CCN(CCCCNC(=O)c2ccc(N(C)C)cc2)CC1
InChIInChI=1S/C24H34N4O2/c1-26(2)21-12-10-20(11-13-21)24(29)25-14-6-7-15-27-16-18-28(19-17-27)22-8-4-5-9-23(22)30-3/h4-5,8-13H,6-7,14-19H2,1-3H3,(H,25,29)
InChIKeyLBZHOUJGVUYWGV-UHFFFAOYSA-N
XLogP3.09
TPSA48.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.56
LogP ≤ 53.09
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-(dimethylamino)-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]benzamide?
The IUPAC name of 4-(dimethylamino)-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]benzamide (CID 53326601) is 4-(dimethylamino)-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]benzamide.
What is the SMILES notation for 4-(dimethylamino)-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]benzamide?
The canonical SMILES for 4-(dimethylamino)-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]benzamide is COc1ccccc1N1CCN(CCCCNC(=O)c2ccc(N(C)C)cc2)CC1.
What is the InChIKey of 4-(dimethylamino)-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]benzamide?
The InChIKey is LBZHOUJGVUYWGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N4O2/c1-26(2)21-12-10-20(11-13-21)24(29)25-14-6-7-15-27-16-18-28(19-17-27)22-8-4-5-9-23(22)30-3/h4-5,8-13H,6-7,14-19H2,1-3H3,(H,25,29).
What are the key properties of 4-(dimethylamino)-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]benzamide?
4-(dimethylamino)-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]benzamide has a molecular weight of 410.56 g/mol, XLogP of 3.09, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]benzamide is sourced from PubChem (CID 53326601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).