N-[4-[[1-(4-acetylpiperazin-1-yl)-1-oxopropan-2-yl]amino]phenyl]-2-methylpropanamide

C19H28N4O3 — CID 55540658

IUPACN-[4-[[1-(4-acetylpiperazin-1-yl)-1-oxopropan-2-yl]amino]phenyl]-2-methylpropanamide
SMILESCC(=O)N1CCN(C(=O)C(C)Nc2ccc(NC(=O)C(C)C)cc2)CC1
InChIInChI=1S/C19H28N4O3/c1-13(2)18(25)21-17-7-5-16(6-8-17)20-14(3)19(26)23-11-9-22(10-12-23)15(4)24/h5-8,13-14,20H,9-12H2,1-4H3,(H,21,25)
InChIKeyZOFGMLLMOLLRJB-UHFFFAOYSA-N
MW360.46 g/mol
LogP1.77
Rot. Bonds5

About N-[4-[[1-(4-acetylpiperazin-1-yl)-1-oxopropan-2-yl]amino]phenyl]-2-methylpropanamide

N-[4-[[1-(4-acetylpiperazin-1-yl)-1-oxopropan-2-yl]amino]phenyl]-2-methylpropanamide (PubChem CID 55540658) has the molecular formula C19H28N4O3 and a molecular weight of 360.46 g/mol. Its IUPAC name is N-[4-[[1-(4-acetylpiperazin-1-yl)-1-oxopropan-2-yl]amino]phenyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[4-[[1-(4-acetylpiperazin-1-yl)-1-oxopropan-2-yl]amino]phenyl]-2-methylpropanamide
PubChem CID55540658
Molecular FormulaC19H28N4O3
Molecular Weight360.46 g/mol
Exact Mass360.22
IUPAC NameN-[4-[[1-(4-acetylpiperazin-1-yl)-1-oxopropan-2-yl]amino]phenyl]-2-methylpropanamide
SMILESCC(=O)N1CCN(C(=O)C(C)Nc2ccc(NC(=O)C(C)C)cc2)CC1
InChIInChI=1S/C19H28N4O3/c1-13(2)18(25)21-17-7-5-16(6-8-17)20-14(3)19(26)23-11-9-22(10-12-23)15(4)24/h5-8,13-14,20H,9-12H2,1-4H3,(H,21,25)
InChIKeyZOFGMLLMOLLRJB-UHFFFAOYSA-N
XLogP1.77
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[4-[[1-(4-acetylpiperazin-1-yl)-1-oxopropan-2-yl]amino]phenyl]-2-methylpropanamide with MolForge

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Related Compounds

2-methyl-N-[4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]propanamide
CID 772363
2-(4-acetylanilino)-1-piperidin-1-ylpropan-1-one
CID 115571713
2-(4-methylanilino)-1-piperidin-1-ylpropan-1-one
CID 43083406
N-[4-(butan-2-ylamino)phenyl]-2-methylpropanamide
CID 43683753
(2R)-1-(4-acetylpiperazin-1-yl)-2-[(2-methyl-1,3-benzothiazol-6-yl)amino]propan-1-one
CID 36598546
(2S)-1-(4-acetylpiperazin-1-yl)-2-(1,3-benzothiazol-6-ylamino)propan-1-one
CID 95579019
2-methyl-N-[4-[[1-(methylcarbamoylamino)-1-oxopropan-2-yl]amino]phenyl]propanamide
CID 51178190
1-(azepan-1-yl)-2-[4-(dimethylamino)anilino]propan-1-one
CID 43408353
2-(4-methylsulfanylanilino)-1-piperidin-1-ylpropan-1-one
CID 43088919
2-(4-propan-2-yloxyanilino)-1-pyrrolidin-1-ylpropan-1-one
CID 43123154
N-[4-[4-(2-methylpropanoyl)piperazine-1-carbonyl]phenyl]acetamide
CID 110800200
(2S)-2-(4-chloroanilino)-1-(4-phenylpiperazin-1-yl)propan-1-one
CID 25351776

Frequently Asked Questions

What is the IUPAC name of N-[4-[[1-(4-acetylpiperazin-1-yl)-1-oxopropan-2-yl]amino]phenyl]-2-methylpropanamide?
The IUPAC name of N-[4-[[1-(4-acetylpiperazin-1-yl)-1-oxopropan-2-yl]amino]phenyl]-2-methylpropanamide (CID 55540658) is N-[4-[[1-(4-acetylpiperazin-1-yl)-1-oxopropan-2-yl]amino]phenyl]-2-methylpropanamide.
What is the SMILES notation for N-[4-[[1-(4-acetylpiperazin-1-yl)-1-oxopropan-2-yl]amino]phenyl]-2-methylpropanamide?
The canonical SMILES for N-[4-[[1-(4-acetylpiperazin-1-yl)-1-oxopropan-2-yl]amino]phenyl]-2-methylpropanamide is CC(=O)N1CCN(C(=O)C(C)Nc2ccc(NC(=O)C(C)C)cc2)CC1.
What is the InChIKey of N-[4-[[1-(4-acetylpiperazin-1-yl)-1-oxopropan-2-yl]amino]phenyl]-2-methylpropanamide?
The InChIKey is ZOFGMLLMOLLRJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O3/c1-13(2)18(25)21-17-7-5-16(6-8-17)20-14(3)19(26)23-11-9-22(10-12-23)15(4)24/h5-8,13-14,20H,9-12H2,1-4H3,(H,21,25).
What are the key properties of N-[4-[[1-(4-acetylpiperazin-1-yl)-1-oxopropan-2-yl]amino]phenyl]-2-methylpropanamide?
N-[4-[[1-(4-acetylpiperazin-1-yl)-1-oxopropan-2-yl]amino]phenyl]-2-methylpropanamide has a molecular weight of 360.46 g/mol, XLogP of 1.77, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[1-(4-acetylpiperazin-1-yl)-1-oxopropan-2-yl]amino]phenyl]-2-methylpropanamide is sourced from PubChem (CID 55540658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).