2-[4-(2-anilino-2-oxoethyl)piperazin-1-yl]-N-(2,4-dimethylphenyl)propanamide

C23H30N4O2 — CID 51334142

IUPAC2-[4-(2-anilino-2-oxoethyl)piperazin-1-yl]-N-(2,4-dimethylphenyl)propanamide
SMILESCc1ccc(NC(=O)C(C)N2CCN(CC(=O)Nc3ccccc3)CC2)c(C)c1
InChIInChI=1S/C23H30N4O2/c1-17-9-10-21(18(2)15-17)25-23(29)19(3)27-13-11-26(12-14-27)16-22(28)24-20-7-5-4-6-8-20/h4-10,15,19H,11-14,16H2,1-3H3,(H,24,28)(H,25,29)
InChIKeyQMTPLXUCOFLIQP-UHFFFAOYSA-N
MW394.52 g/mol
LogP2.89
Rot. Bonds6

About 2-[4-(2-anilino-2-oxoethyl)piperazin-1-yl]-N-(2,4-dimethylphenyl)propanamide

2-[4-(2-anilino-2-oxoethyl)piperazin-1-yl]-N-(2,4-dimethylphenyl)propanamide (PubChem CID 51334142) has the molecular formula C23H30N4O2 and a molecular weight of 394.52 g/mol. Its IUPAC name is 2-[4-(2-anilino-2-oxoethyl)piperazin-1-yl]-N-(2,4-dimethylphenyl)propanamide.

Molecular Properties

Compound Name2-[4-(2-anilino-2-oxoethyl)piperazin-1-yl]-N-(2,4-dimethylphenyl)propanamide
PubChem CID51334142
Molecular FormulaC23H30N4O2
Molecular Weight394.52 g/mol
Exact Mass394.24
IUPAC Name2-[4-(2-anilino-2-oxoethyl)piperazin-1-yl]-N-(2,4-dimethylphenyl)propanamide
SMILESCc1ccc(NC(=O)C(C)N2CCN(CC(=O)Nc3ccccc3)CC2)c(C)c1
InChIInChI=1S/C23H30N4O2/c1-17-9-10-21(18(2)15-17)25-23(29)19(3)27-13-11-26(12-14-27)16-22(28)24-20-7-5-4-6-8-20/h4-10,15,19H,11-14,16H2,1-3H3,(H,24,28)(H,25,29)
InChIKeyQMTPLXUCOFLIQP-UHFFFAOYSA-N
XLogP2.89
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,4-dimethylphenyl)-2-[4-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]piperazin-1-yl]propanamide
CID 46631384
(2R)-2-(4-benzylpiperazin-1-yl)-N-(2,4-dimethylphenyl)propanamide
CID 9275187
2-[4-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]piperazin-1-yl]-N-(2,4-dimethylphenyl)propanamide
CID 24506780
(2R)-N-(2,4-dimethylphenyl)-2-(4-phenylpiperazin-1-yl)propanamide
CID 9250150
(2R)-2-[4-[2-(4-methylanilino)-2-oxoethyl]piperazin-1-yl]-N-[(1S)-1-phenylethyl]propanamide
CID 30723875
N-(2,5-dimethylphenyl)-2-[4-[2-(2-ethylanilino)-2-oxoethyl]piperazin-1-yl]propanamide
CID 55432044
2-[4-(2-anilino-2-oxoethyl)piperazin-1-yl]propanoic acid
CID 62310082
2-[4-[2-(benzylamino)-2-oxoethyl]piperazin-1-yl]-N-(2-bromo-4-methylphenyl)propanamide
CID 24596402
ethyl 4-[(2R)-1-(2,4-dimethylanilino)-1-oxopropan-2-yl]piperazine-1-carboxylate
CID 9431101
2-[4,7-bis(carboxymethyl)-10-[2-(2,4-dimethylanilino)-2-oxoethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
CID 58121003
(2R)-2-(azocan-1-yl)-N-(2,4-dimethylphenyl)propanamide
CID 9460338
(2S)-2-[4-[2-(benzylamino)-2-oxoethyl]piperazin-1-yl]-N-(2-methylphenyl)propanamide
CID 30637178

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-anilino-2-oxoethyl)piperazin-1-yl]-N-(2,4-dimethylphenyl)propanamide?
The IUPAC name of 2-[4-(2-anilino-2-oxoethyl)piperazin-1-yl]-N-(2,4-dimethylphenyl)propanamide (CID 51334142) is 2-[4-(2-anilino-2-oxoethyl)piperazin-1-yl]-N-(2,4-dimethylphenyl)propanamide.
What is the SMILES notation for 2-[4-(2-anilino-2-oxoethyl)piperazin-1-yl]-N-(2,4-dimethylphenyl)propanamide?
The canonical SMILES for 2-[4-(2-anilino-2-oxoethyl)piperazin-1-yl]-N-(2,4-dimethylphenyl)propanamide is Cc1ccc(NC(=O)C(C)N2CCN(CC(=O)Nc3ccccc3)CC2)c(C)c1.
What is the InChIKey of 2-[4-(2-anilino-2-oxoethyl)piperazin-1-yl]-N-(2,4-dimethylphenyl)propanamide?
The InChIKey is QMTPLXUCOFLIQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O2/c1-17-9-10-21(18(2)15-17)25-23(29)19(3)27-13-11-26(12-14-27)16-22(28)24-20-7-5-4-6-8-20/h4-10,15,19H,11-14,16H2,1-3H3,(H,24,28)(H,25,29).
What are the key properties of 2-[4-(2-anilino-2-oxoethyl)piperazin-1-yl]-N-(2,4-dimethylphenyl)propanamide?
2-[4-(2-anilino-2-oxoethyl)piperazin-1-yl]-N-(2,4-dimethylphenyl)propanamide has a molecular weight of 394.52 g/mol, XLogP of 2.89, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-anilino-2-oxoethyl)piperazin-1-yl]-N-(2,4-dimethylphenyl)propanamide is sourced from PubChem (CID 51334142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).