(2R)-2-amino-N-[4-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]phenyl]propanamide

C16H24N4O2 — CID 119860866

IUPAC(2R)-2-amino-N-[4-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]phenyl]propanamide
SMILESC[C@@H](N)C(=O)Nc1ccc(CC(=O)N2CCN(C)CC2)cc1
InChIInChI=1S/C16H24N4O2/c1-12(17)16(22)18-14-5-3-13(4-6-14)11-15(21)20-9-7-19(2)8-10-20/h3-6,12H,7-11,17H2,1-2H3,(H,18,22)/t12-/m1/s1
InChIKeyZLRYAPQIUFGGNC-GFCCVEGCSA-N
MW304.39 g/mol
LogP0.29
Rot. Bonds4

About (2R)-2-amino-N-[4-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]phenyl]propanamide

(2R)-2-amino-N-[4-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]phenyl]propanamide (PubChem CID 119860866) has the molecular formula C16H24N4O2 and a molecular weight of 304.39 g/mol. Its IUPAC name is (2R)-2-amino-N-[4-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]phenyl]propanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-[4-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]phenyl]propanamide
PubChem CID119860866
Molecular FormulaC16H24N4O2
Molecular Weight304.39 g/mol
Exact Mass304.19
IUPAC Name(2R)-2-amino-N-[4-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]phenyl]propanamide
SMILESC[C@@H](N)C(=O)Nc1ccc(CC(=O)N2CCN(C)CC2)cc1
InChIInChI=1S/C16H24N4O2/c1-12(17)16(22)18-14-5-3-13(4-6-14)11-15(21)20-9-7-19(2)8-10-20/h3-6,12H,7-11,17H2,1-2H3,(H,18,22)/t12-/m1/s1
InChIKeyZLRYAPQIUFGGNC-GFCCVEGCSA-N
XLogP0.29
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2S)-3-methylbutan-2-yl]-3-[4-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]phenyl]urea
CID 94655505
N-[4-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]phenyl]-2-(2,2,2-trifluoroethoxy)propanamide
CID 87032175
N-[4-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]phenyl]prop-2-enamide
CID 166406056
2-(4-aminophenyl)-1-(4-methylpiperazin-1-yl)ethanone
CID 16773079
(2S)-2-amino-N-[4-(3-oxo-3-pyrrolidin-1-ylpropyl)phenyl]propanamide;hydrochloride
CID 119303606
3-[4-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]anilino]-2-methyl-3-oxopropanoic acid
CID 138001729
2-methyl-N-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]butanamide
CID 46455504
3-amino-N-[4-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]phenyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119860849
2-(4-bromophenyl)-1-(4-methylpiperazin-1-yl)ethanone
CID 884392
(2S)-2-amino-N-[4-(hydroxymethyl)phenyl]propanamide
CID 103691721
(2R)-2-amino-N-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]propanamide
CID 119903586
2-amino-N-[4-(2-oxo-2-thiomorpholin-4-ylethyl)phenyl]pentanamide
CID 119310610

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-[4-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]phenyl]propanamide?
The IUPAC name of (2R)-2-amino-N-[4-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]phenyl]propanamide (CID 119860866) is (2R)-2-amino-N-[4-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]phenyl]propanamide.
What is the SMILES notation for (2R)-2-amino-N-[4-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]phenyl]propanamide?
The canonical SMILES for (2R)-2-amino-N-[4-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]phenyl]propanamide is C[C@@H](N)C(=O)Nc1ccc(CC(=O)N2CCN(C)CC2)cc1.
What is the InChIKey of (2R)-2-amino-N-[4-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]phenyl]propanamide?
The InChIKey is ZLRYAPQIUFGGNC-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H24N4O2/c1-12(17)16(22)18-14-5-3-13(4-6-14)11-15(21)20-9-7-19(2)8-10-20/h3-6,12H,7-11,17H2,1-2H3,(H,18,22)/t12-/m1/s1.
What are the key properties of (2R)-2-amino-N-[4-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]phenyl]propanamide?
(2R)-2-amino-N-[4-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]phenyl]propanamide has a molecular weight of 304.39 g/mol, XLogP of 0.29, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-[4-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]phenyl]propanamide is sourced from PubChem (CID 119860866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).