N-(4-ethoxyphenyl)-3-[4-(3-methylphenyl)piperazin-1-yl]propanamide

C22H29N3O2 — CID 109029408

IUPACN-(4-ethoxyphenyl)-3-[4-(3-methylphenyl)piperazin-1-yl]propanamide
SMILESCCOc1ccc(NC(=O)CCN2CCN(c3cccc(C)c3)CC2)cc1
InChIInChI=1S/C22H29N3O2/c1-3-27-21-9-7-19(8-10-21)23-22(26)11-12-24-13-15-25(16-14-24)20-6-4-5-18(2)17-20/h4-10,17H,3,11-16H2,1-2H3,(H,23,26)
InChIKeyRVOJVTUTKCVPKK-UHFFFAOYSA-N
MW367.49 g/mol
LogP3.54
Rot. Bonds7

About N-(4-ethoxyphenyl)-3-[4-(3-methylphenyl)piperazin-1-yl]propanamide

N-(4-ethoxyphenyl)-3-[4-(3-methylphenyl)piperazin-1-yl]propanamide (PubChem CID 109029408) has the molecular formula C22H29N3O2 and a molecular weight of 367.49 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-3-[4-(3-methylphenyl)piperazin-1-yl]propanamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-3-[4-(3-methylphenyl)piperazin-1-yl]propanamide
PubChem CID109029408
Molecular FormulaC22H29N3O2
Molecular Weight367.49 g/mol
Exact Mass367.23
IUPAC NameN-(4-ethoxyphenyl)-3-[4-(3-methylphenyl)piperazin-1-yl]propanamide
SMILESCCOc1ccc(NC(=O)CCN2CCN(c3cccc(C)c3)CC2)cc1
InChIInChI=1S/C22H29N3O2/c1-3-27-21-9-7-19(8-10-21)23-22(26)11-12-24-13-15-25(16-14-24)20-6-4-5-18(2)17-20/h4-10,17H,3,11-16H2,1-2H3,(H,23,26)
InChIKeyRVOJVTUTKCVPKK-UHFFFAOYSA-N
XLogP3.54
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-chlorophenyl)-3-[4-(3-methylphenyl)piperazin-1-yl]propanamide
CID 60504794
N-(3-methoxyphenyl)-3-[4-(3-methylphenyl)piperazin-1-yl]propanamide
CID 109029405
N-(3,4-dichlorophenyl)-3-[4-(3-methylphenyl)piperazin-1-yl]propanamide
CID 109029431
N-(6-amino-3-pyridinyl)-3-[4-(3-methylphenyl)piperazin-1-yl]propanamide
CID 119516064
2-(4-ethoxyphenyl)-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]acetamide
CID 34246704
N-(5-methyl-1,2-oxazol-3-yl)-3-[4-(3-methylphenyl)piperazin-1-yl]propanamide
CID 35799420
N-(4-methylphenyl)-3-(4-phenylpiperazin-1-yl)propanamide;hydrochloride
CID 19661863
4-[[2-[4-(3-chlorophenyl)piperazin-1-yl]acetyl]amino]-N-(4-ethoxyphenyl)benzamide
CID 27157023
3-[4-(4-chlorophenyl)piperazin-1-yl]-N-(3-methylphenyl)propanamide
CID 42858886
3-[4-(3-methylphenyl)piperazin-1-yl]propanoic acid;dihydrochloride
CID 43810604
(2S)-2-[3-[4-(3-methylphenyl)piperazin-1-yl]propanoylamino]propanoic acid
CID 119943282
N-benzyl-3-[4-(3-methylphenyl)piperazin-1-yl]propanamide
CID 109018781

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-3-[4-(3-methylphenyl)piperazin-1-yl]propanamide?
The IUPAC name of N-(4-ethoxyphenyl)-3-[4-(3-methylphenyl)piperazin-1-yl]propanamide (CID 109029408) is N-(4-ethoxyphenyl)-3-[4-(3-methylphenyl)piperazin-1-yl]propanamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-3-[4-(3-methylphenyl)piperazin-1-yl]propanamide?
The canonical SMILES for N-(4-ethoxyphenyl)-3-[4-(3-methylphenyl)piperazin-1-yl]propanamide is CCOc1ccc(NC(=O)CCN2CCN(c3cccc(C)c3)CC2)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-3-[4-(3-methylphenyl)piperazin-1-yl]propanamide?
The InChIKey is RVOJVTUTKCVPKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O2/c1-3-27-21-9-7-19(8-10-21)23-22(26)11-12-24-13-15-25(16-14-24)20-6-4-5-18(2)17-20/h4-10,17H,3,11-16H2,1-2H3,(H,23,26).
What are the key properties of N-(4-ethoxyphenyl)-3-[4-(3-methylphenyl)piperazin-1-yl]propanamide?
N-(4-ethoxyphenyl)-3-[4-(3-methylphenyl)piperazin-1-yl]propanamide has a molecular weight of 367.49 g/mol, XLogP of 3.54, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-3-[4-(3-methylphenyl)piperazin-1-yl]propanamide is sourced from PubChem (CID 109029408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).