2-[(4-methyl-2-phenylpiperazine-1-carbonyl)amino]propanoic acid

C15H21N3O3 — CID 61181654

IUPAC2-[(4-methyl-2-phenylpiperazine-1-carbonyl)amino]propanoic acid
SMILESCC(NC(=O)N1CCN(C)CC1c1ccccc1)C(=O)O
InChIInChI=1S/C15H21N3O3/c1-11(14(19)20)16-15(21)18-9-8-17(2)10-13(18)12-6-4-3-5-7-12/h3-7,11,13H,8-10H2,1-2H3,(H,16,21)(H,19,20)
InChIKeyYPDCXLGMMFKTHL-UHFFFAOYSA-N
MW291.35 g/mol
LogP1.16
Rot. Bonds3

About 2-[(4-methyl-2-phenylpiperazine-1-carbonyl)amino]propanoic acid

2-[(4-methyl-2-phenylpiperazine-1-carbonyl)amino]propanoic acid (PubChem CID 61181654) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is 2-[(4-methyl-2-phenylpiperazine-1-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name2-[(4-methyl-2-phenylpiperazine-1-carbonyl)amino]propanoic acid
PubChem CID61181654
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name2-[(4-methyl-2-phenylpiperazine-1-carbonyl)amino]propanoic acid
SMILESCC(NC(=O)N1CCN(C)CC1c1ccccc1)C(=O)O
InChIInChI=1S/C15H21N3O3/c1-11(14(19)20)16-15(21)18-9-8-17(2)10-13(18)12-6-4-3-5-7-12/h3-7,11,13H,8-10H2,1-2H3,(H,16,21)(H,19,20)
InChIKeyYPDCXLGMMFKTHL-UHFFFAOYSA-N
XLogP1.16
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-chloropropanoyl)-4-methyl-2-phenylpiperazine-1-carboxamide
CID 43328757
N-[cyclopropyl(phenyl)methyl]-4-methyl-2-phenylpiperazine-1-carboxamide
CID 75865061
(2S)-4-methyl-N-[(1R)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-phenylpiperazine-1-carboxamide
CID 97312001
2-methoxy-1-(4-methyl-2-phenylpiperazin-1-yl)propan-1-one
CID 112685654
(2R)-2-amino-1-(4-methyl-2-phenylpiperazin-1-yl)propan-1-one
CID 54991398
4-methyl-N-(4-methylphenyl)-2-phenylpiperazine-1-carboxamide
CID 24612409
(2R)-4-methyl-N-(1-methyl-6-oxo-3-pyridinyl)-2-phenylpiperazine-1-carboxamide
CID 97314638
(4-methyl-2-phenylpiperazin-1-yl)-phenylmethanone
CID 4069484
4-bromo-N-[(2S)-1-[(2R)-4-methyl-2-phenylpiperazin-1-yl]-1-oxopropan-2-yl]benzamide
CID 129376775
(2R)-4-methyl-2-phenyl-N-[(1R)-1-phenylethyl]piperazine-1-carbothioamide
CID 98786040
N-[(2R)-4-[(2R)-4-methyl-2-phenylpiperazin-1-yl]-4-oxobutan-2-yl]benzamide
CID 124816393
N-[(2S)-1-[(2S)-4-methyl-2-phenylpiperazin-1-yl]-1-oxopropan-2-yl]-2-phenoxyacetamide
CID 37332784

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methyl-2-phenylpiperazine-1-carbonyl)amino]propanoic acid?
The IUPAC name of 2-[(4-methyl-2-phenylpiperazine-1-carbonyl)amino]propanoic acid (CID 61181654) is 2-[(4-methyl-2-phenylpiperazine-1-carbonyl)amino]propanoic acid.
What is the SMILES notation for 2-[(4-methyl-2-phenylpiperazine-1-carbonyl)amino]propanoic acid?
The canonical SMILES for 2-[(4-methyl-2-phenylpiperazine-1-carbonyl)amino]propanoic acid is CC(NC(=O)N1CCN(C)CC1c1ccccc1)C(=O)O.
What is the InChIKey of 2-[(4-methyl-2-phenylpiperazine-1-carbonyl)amino]propanoic acid?
The InChIKey is YPDCXLGMMFKTHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-11(14(19)20)16-15(21)18-9-8-17(2)10-13(18)12-6-4-3-5-7-12/h3-7,11,13H,8-10H2,1-2H3,(H,16,21)(H,19,20).
What are the key properties of 2-[(4-methyl-2-phenylpiperazine-1-carbonyl)amino]propanoic acid?
2-[(4-methyl-2-phenylpiperazine-1-carbonyl)amino]propanoic acid has a molecular weight of 291.35 g/mol, XLogP of 1.16, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methyl-2-phenylpiperazine-1-carbonyl)amino]propanoic acid is sourced from PubChem (CID 61181654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).