2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propylamino]-N,N,3-trimethylbenzamide

C24H34N4O2 — CID 21473427

IUPAC2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propylamino]-N,N,3-trimethylbenzamide
SMILESCOc1ccccc1N1CCN(CCCNc2c(C)cccc2C(=O)N(C)C)CC1
InChIInChI=1S/C24H34N4O2/c1-19-9-7-10-20(24(29)26(2)3)23(19)25-13-8-14-27-15-17-28(18-16-27)21-11-5-6-12-22(21)30-4/h5-7,9-12,25H,8,13-18H2,1-4H3
InChIKeyADBSINZYBRTZMT-UHFFFAOYSA-N
MW410.56 g/mol
LogP3.33
Rot. Bonds8

About 2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propylamino]-N,N,3-trimethylbenzamide

2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propylamino]-N,N,3-trimethylbenzamide (PubChem CID 21473427) has the molecular formula C24H34N4O2 and a molecular weight of 410.56 g/mol. Its IUPAC name is 2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propylamino]-N,N,3-trimethylbenzamide.

Molecular Properties

Compound Name2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propylamino]-N,N,3-trimethylbenzamide
PubChem CID21473427
Molecular FormulaC24H34N4O2
Molecular Weight410.56 g/mol
Exact Mass410.27
IUPAC Name2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propylamino]-N,N,3-trimethylbenzamide
SMILESCOc1ccccc1N1CCN(CCCNc2c(C)cccc2C(=O)N(C)C)CC1
InChIInChI=1S/C24H34N4O2/c1-19-9-7-10-20(24(29)26(2)3)23(19)25-13-8-14-27-15-17-28(18-16-27)21-11-5-6-12-22(21)30-4/h5-7,9-12,25H,8,13-18H2,1-4H3
InChIKeyADBSINZYBRTZMT-UHFFFAOYSA-N
XLogP3.33
TPSA48.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.56
LogP ≤ 53.33
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 2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propylamino]-N,N,3-trimethylbenzamide?
The IUPAC name of 2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propylamino]-N,N,3-trimethylbenzamide (CID 21473427) is 2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propylamino]-N,N,3-trimethylbenzamide.
What is the SMILES notation for 2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propylamino]-N,N,3-trimethylbenzamide?
The canonical SMILES for 2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propylamino]-N,N,3-trimethylbenzamide is COc1ccccc1N1CCN(CCCNc2c(C)cccc2C(=O)N(C)C)CC1.
What is the InChIKey of 2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propylamino]-N,N,3-trimethylbenzamide?
The InChIKey is ADBSINZYBRTZMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N4O2/c1-19-9-7-10-20(24(29)26(2)3)23(19)25-13-8-14-27-15-17-28(18-16-27)21-11-5-6-12-22(21)30-4/h5-7,9-12,25H,8,13-18H2,1-4H3.
What are the key properties of 2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propylamino]-N,N,3-trimethylbenzamide?
2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propylamino]-N,N,3-trimethylbenzamide has a molecular weight of 410.56 g/mol, XLogP of 3.33, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propylamino]-N,N,3-trimethylbenzamide is sourced from PubChem (CID 21473427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).