N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-2,4,6-trimethylbenzamide

C23H31N3O2 — CID 42266869

IUPACN-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-2,4,6-trimethylbenzamide
SMILESCOc1ccccc1N1CCN(CCNC(=O)c2c(C)cc(C)cc2C)CC1
InChIInChI=1S/C23H31N3O2/c1-17-15-18(2)22(19(3)16-17)23(27)24-9-10-25-11-13-26(14-12-25)20-7-5-6-8-21(20)28-4/h5-8,15-16H,9-14H2,1-4H3,(H,24,27)
InChIKeySRRJGEKDIQIHJZ-UHFFFAOYSA-N
MW381.52 g/mol
LogP3.17
Rot. Bonds6

About N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-2,4,6-trimethylbenzamide

N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-2,4,6-trimethylbenzamide (PubChem CID 42266869) has the molecular formula C23H31N3O2 and a molecular weight of 381.52 g/mol. Its IUPAC name is N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-2,4,6-trimethylbenzamide.

Molecular Properties

Compound NameN-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-2,4,6-trimethylbenzamide
PubChem CID42266869
Molecular FormulaC23H31N3O2
Molecular Weight381.52 g/mol
Exact Mass381.24
IUPAC NameN-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-2,4,6-trimethylbenzamide
SMILESCOc1ccccc1N1CCN(CCNC(=O)c2c(C)cc(C)cc2C)CC1
InChIInChI=1S/C23H31N3O2/c1-17-15-18(2)22(19(3)16-17)23(27)24-9-10-25-11-13-26(14-12-25)20-7-5-6-8-21(20)28-4/h5-8,15-16H,9-14H2,1-4H3,(H,24,27)
InChIKeySRRJGEKDIQIHJZ-UHFFFAOYSA-N
XLogP3.17
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.52
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N'-(2-methoxyethyl)-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]oxamide
CID 42268802
3,5-dichloro-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]benzamide
CID 10024401
N'-(3,4-dimethylphenyl)-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]oxamide
CID 42268919
2,4-dimethoxy-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]benzamide
CID 42266860
N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]thiophene-2-carboxamide
CID 10617524
2-chloro-6-fluoro-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]benzamide
CID 42266795
2-ethoxy-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]benzamide
CID 13318490
N'-(2-methoxy-5-methylphenyl)-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]oxamide
CID 42268804
N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]thiophene-3-carboxamide
CID 11725128
5-bromo-2-chloro-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]benzamide
CID 42266764
2-(2-fluorophenoxy)-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]acetamide
CID 42266897
4-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-N-(2-piperidin-1-ylethyl)benzamide
CID 46054193

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-2,4,6-trimethylbenzamide?
The IUPAC name of N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-2,4,6-trimethylbenzamide (CID 42266869) is N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-2,4,6-trimethylbenzamide.
What is the SMILES notation for N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-2,4,6-trimethylbenzamide?
The canonical SMILES for N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-2,4,6-trimethylbenzamide is COc1ccccc1N1CCN(CCNC(=O)c2c(C)cc(C)cc2C)CC1.
What is the InChIKey of N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-2,4,6-trimethylbenzamide?
The InChIKey is SRRJGEKDIQIHJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O2/c1-17-15-18(2)22(19(3)16-17)23(27)24-9-10-25-11-13-26(14-12-25)20-7-5-6-8-21(20)28-4/h5-8,15-16H,9-14H2,1-4H3,(H,24,27).
What are the key properties of N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-2,4,6-trimethylbenzamide?
N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-2,4,6-trimethylbenzamide has a molecular weight of 381.52 g/mol, XLogP of 3.17, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-2,4,6-trimethylbenzamide is sourced from PubChem (CID 42266869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).