N-(4-ethylphenyl)-3-(4-methylpiperazin-1-yl)-3-phenylpropanamide

C22H29N3O — CID 169109522

IUPACN-(4-ethylphenyl)-3-(4-methylpiperazin-1-yl)-3-phenylpropanamide
SMILESCCc1ccc(NC(=O)CC(c2ccccc2)N2CCN(C)CC2)cc1
InChIInChI=1S/C22H29N3O/c1-3-18-9-11-20(12-10-18)23-22(26)17-21(19-7-5-4-6-8-19)25-15-13-24(2)14-16-25/h4-12,21H,3,13-17H2,1-2H3,(H,23,26)
InChIKeyWEPUONWYNBIOIX-UHFFFAOYSA-N
MW351.49 g/mol
LogP3.57
Rot. Bonds6

About N-(4-ethylphenyl)-3-(4-methylpiperazin-1-yl)-3-phenylpropanamide

N-(4-ethylphenyl)-3-(4-methylpiperazin-1-yl)-3-phenylpropanamide (PubChem CID 169109522) has the molecular formula C22H29N3O and a molecular weight of 351.49 g/mol. Its IUPAC name is N-(4-ethylphenyl)-3-(4-methylpiperazin-1-yl)-3-phenylpropanamide.

Molecular Properties

Compound NameN-(4-ethylphenyl)-3-(4-methylpiperazin-1-yl)-3-phenylpropanamide
PubChem CID169109522
Molecular FormulaC22H29N3O
Molecular Weight351.49 g/mol
Exact Mass351.23
IUPAC NameN-(4-ethylphenyl)-3-(4-methylpiperazin-1-yl)-3-phenylpropanamide
SMILESCCc1ccc(NC(=O)CC(c2ccccc2)N2CCN(C)CC2)cc1
InChIInChI=1S/C22H29N3O/c1-3-18-9-11-20(12-10-18)23-22(26)17-21(19-7-5-4-6-8-19)25-15-13-24(2)14-16-25/h4-12,21H,3,13-17H2,1-2H3,(H,23,26)
InChIKeyWEPUONWYNBIOIX-UHFFFAOYSA-N
XLogP3.57
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.49
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2S)-2-[4-(dimethylamino)phenyl]-2-(4-methylpiperazin-1-yl)ethyl]-N'-(4-ethylphenyl)oxamide
CID 30642863
2-(4-ethylphenyl)-2-(4-methylpiperazin-1-yl)ethanol
CID 82086942
3-(carbamoylamino)-N-(4-ethylphenyl)-3-phenylpropanamide
CID 24605702
N-[2-(4-methylpiperazin-1-yl)-2-phenylethyl]pentanamide
CID 112503144
1-[(2S)-2-(4-methylphenyl)-2-(4-methylpiperazin-1-yl)ethyl]-3-phenylurea
CID 7384639
N-(4-ethylphenyl)-2-phenylacetamide
CID 2684383
3-(4-fluorophenyl)-N-phenyl-3-piperazin-1-ylpropanamide
CID 102089995
N'-(6-methoxy-3-pyridinyl)-N-[(2R)-2-(4-methylpiperazin-1-yl)-2-phenylethyl]oxamide
CID 51971264
1-[2-(4-chlorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]-3-phenylurea
CID 112507265
4-(4-bromoanilino)-2-(4-methylpiperazin-1-yl)-4-oxobutanoic acid
CID 18581210
N-[4-[2-(4-methylpiperazin-1-yl)acetyl]phenyl]-3-phenylbutanamide
CID 110634314
N'-(4-ethylphenyl)-N-[2-(4-phenylpiperazin-1-yl)-2-pyridin-3-ylethyl]oxamide
CID 22517366

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-3-(4-methylpiperazin-1-yl)-3-phenylpropanamide?
The IUPAC name of N-(4-ethylphenyl)-3-(4-methylpiperazin-1-yl)-3-phenylpropanamide (CID 169109522) is N-(4-ethylphenyl)-3-(4-methylpiperazin-1-yl)-3-phenylpropanamide.
What is the SMILES notation for N-(4-ethylphenyl)-3-(4-methylpiperazin-1-yl)-3-phenylpropanamide?
The canonical SMILES for N-(4-ethylphenyl)-3-(4-methylpiperazin-1-yl)-3-phenylpropanamide is CCc1ccc(NC(=O)CC(c2ccccc2)N2CCN(C)CC2)cc1.
What is the InChIKey of N-(4-ethylphenyl)-3-(4-methylpiperazin-1-yl)-3-phenylpropanamide?
The InChIKey is WEPUONWYNBIOIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O/c1-3-18-9-11-20(12-10-18)23-22(26)17-21(19-7-5-4-6-8-19)25-15-13-24(2)14-16-25/h4-12,21H,3,13-17H2,1-2H3,(H,23,26).
What are the key properties of N-(4-ethylphenyl)-3-(4-methylpiperazin-1-yl)-3-phenylpropanamide?
N-(4-ethylphenyl)-3-(4-methylpiperazin-1-yl)-3-phenylpropanamide has a molecular weight of 351.49 g/mol, XLogP of 3.57, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-3-(4-methylpiperazin-1-yl)-3-phenylpropanamide is sourced from PubChem (CID 169109522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).