2-[[2-(4-methylpiperazin-1-yl)-2-phenylacetyl]amino]acetic acid

C15H21N3O3 — CID 119350173

IUPAC2-[[2-(4-methylpiperazin-1-yl)-2-phenylacetyl]amino]acetic acid
SMILESCN1CCN(C(C(=O)NCC(=O)O)c2ccccc2)CC1
InChIInChI=1S/C15H21N3O3/c1-17-7-9-18(10-8-17)14(12-5-3-2-4-6-12)15(21)16-11-13(19)20/h2-6,14H,7-11H2,1H3,(H,16,21)(H,19,20)
InChIKeyLJZBYYQMZFETTA-UHFFFAOYSA-N
MW291.35 g/mol
LogP0.18
Rot. Bonds5

About 2-[[2-(4-methylpiperazin-1-yl)-2-phenylacetyl]amino]acetic acid

2-[[2-(4-methylpiperazin-1-yl)-2-phenylacetyl]amino]acetic acid (PubChem CID 119350173) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is 2-[[2-(4-methylpiperazin-1-yl)-2-phenylacetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[2-(4-methylpiperazin-1-yl)-2-phenylacetyl]amino]acetic acid
PubChem CID119350173
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name2-[[2-(4-methylpiperazin-1-yl)-2-phenylacetyl]amino]acetic acid
SMILESCN1CCN(C(C(=O)NCC(=O)O)c2ccccc2)CC1
InChIInChI=1S/C15H21N3O3/c1-17-7-9-18(10-8-17)14(12-5-3-2-4-6-12)15(21)16-11-13(19)20/h2-6,14H,7-11H2,1H3,(H,16,21)(H,19,20)
InChIKeyLJZBYYQMZFETTA-UHFFFAOYSA-N
XLogP0.18
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-(4-methylpiperazin-1-yl)-2-phenyl-N-propylacetamide
CID 94820416
(2S)-N-cyclopropyl-2-(4-methylpiperazin-1-yl)-2-phenylacetamide
CID 9033055
N-[(2S)-1-aminopropan-2-yl]-2-(4-methylpiperazin-1-yl)-2-phenylacetamide;dihydrochloride
CID 120506442
N-benzyl-2-(4-methylpiperazin-1-yl)-2-pyridin-3-ylacetamide
CID 164930531
2-(4-methylpiperazin-1-yl)-2-phenyl-N-pyrrolidin-3-ylacetamide;dihydrochloride
CID 119453034
benzyl 2-(4-methylpiperazin-1-yl)-2-phenylacetate
CID 66648860
N-[2-(ethylamino)ethyl]-2-phenyl-2-thiomorpholin-4-ylacetamide
CID 119508146
(2S)-N-(3-chloro-4-methylphenyl)-2-(4-methylpiperazin-1-yl)-2-phenylacetamide
CID 8896671
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-(4-methylpiperazin-1-yl)-2-phenylacetamide;dihydrochloride
CID 119458426
N-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)-2-(4-methylpiperazin-1-yl)-2-phenylacetamide
CID 136544131
(2R)-N-butyl-2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-phenylacetamide
CID 94825159
(2S)-2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-(3-methylbutyl)-2-phenylacetamide
CID 95155180

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-methylpiperazin-1-yl)-2-phenylacetyl]amino]acetic acid?
The IUPAC name of 2-[[2-(4-methylpiperazin-1-yl)-2-phenylacetyl]amino]acetic acid (CID 119350173) is 2-[[2-(4-methylpiperazin-1-yl)-2-phenylacetyl]amino]acetic acid.
What is the SMILES notation for 2-[[2-(4-methylpiperazin-1-yl)-2-phenylacetyl]amino]acetic acid?
The canonical SMILES for 2-[[2-(4-methylpiperazin-1-yl)-2-phenylacetyl]amino]acetic acid is CN1CCN(C(C(=O)NCC(=O)O)c2ccccc2)CC1.
What is the InChIKey of 2-[[2-(4-methylpiperazin-1-yl)-2-phenylacetyl]amino]acetic acid?
The InChIKey is LJZBYYQMZFETTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-17-7-9-18(10-8-17)14(12-5-3-2-4-6-12)15(21)16-11-13(19)20/h2-6,14H,7-11H2,1H3,(H,16,21)(H,19,20).
What are the key properties of 2-[[2-(4-methylpiperazin-1-yl)-2-phenylacetyl]amino]acetic acid?
2-[[2-(4-methylpiperazin-1-yl)-2-phenylacetyl]amino]acetic acid has a molecular weight of 291.35 g/mol, XLogP of 0.18, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-methylpiperazin-1-yl)-2-phenylacetyl]amino]acetic acid is sourced from PubChem (CID 119350173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).