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

C24H33N3O2 — CID 146957784

IUPACN-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-N-propylbenzamide
SMILESCCCN(CCCN1CCN(c2ccccc2OC)CC1)C(=O)c1ccccc1
InChIInChI=1S/C24H33N3O2/c1-3-14-27(24(28)21-10-5-4-6-11-21)16-9-15-25-17-19-26(20-18-25)22-12-7-8-13-23(22)29-2/h4-8,10-13H,3,9,14-20H2,1-2H3
InChIKeyAJZCTVAJRNIZDW-UHFFFAOYSA-N
MW395.55 g/mol
LogP3.76
Rot. Bonds9

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

N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-N-propylbenzamide (PubChem CID 146957784) has the molecular formula C24H33N3O2 and a molecular weight of 395.55 g/mol. Its IUPAC name is N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-N-propylbenzamide.

Molecular Properties

Compound NameN-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-N-propylbenzamide
PubChem CID146957784
Molecular FormulaC24H33N3O2
Molecular Weight395.55 g/mol
Exact Mass395.26
IUPAC NameN-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-N-propylbenzamide
SMILESCCCN(CCCN1CCN(c2ccccc2OC)CC1)C(=O)c1ccccc1
InChIInChI=1S/C24H33N3O2/c1-3-14-27(24(28)21-10-5-4-6-11-21)16-9-15-25-17-19-26(20-18-25)22-12-7-8-13-23(22)29-2/h4-8,10-13H,3,9,14-20H2,1-2H3
InChIKeyAJZCTVAJRNIZDW-UHFFFAOYSA-N
XLogP3.76
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.55
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-N-propylbenzamide?
The IUPAC name of N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-N-propylbenzamide (CID 146957784) is N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-N-propylbenzamide.
What is the SMILES notation for N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-N-propylbenzamide?
The canonical SMILES for N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-N-propylbenzamide is CCCN(CCCN1CCN(c2ccccc2OC)CC1)C(=O)c1ccccc1.
What is the InChIKey of N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-N-propylbenzamide?
The InChIKey is AJZCTVAJRNIZDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3O2/c1-3-14-27(24(28)21-10-5-4-6-11-21)16-9-15-25-17-19-26(20-18-25)22-12-7-8-13-23(22)29-2/h4-8,10-13H,3,9,14-20H2,1-2H3.
What are the key properties of N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-N-propylbenzamide?
N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-N-propylbenzamide has a molecular weight of 395.55 g/mol, XLogP of 3.76, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-N-propylbenzamide is sourced from PubChem (CID 146957784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).