2-[4-[(2-methylphenyl)carbamoyl]piperazin-1-yl]propanoic acid

C15H21N3O3 — CID 62310905

IUPAC2-[4-[(2-methylphenyl)carbamoyl]piperazin-1-yl]propanoic acid
SMILESCc1ccccc1NC(=O)N1CCN(C(C)C(=O)O)CC1
InChIInChI=1S/C15H21N3O3/c1-11-5-3-4-6-13(11)16-15(21)18-9-7-17(8-10-18)12(2)14(19)20/h3-6,12H,7-10H2,1-2H3,(H,16,21)(H,19,20)
InChIKeyAJQGOJWZSIMIRS-UHFFFAOYSA-N
MW291.35 g/mol
LogP1.62
Rot. Bonds3

About 2-[4-[(2-methylphenyl)carbamoyl]piperazin-1-yl]propanoic acid

2-[4-[(2-methylphenyl)carbamoyl]piperazin-1-yl]propanoic acid (PubChem CID 62310905) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is 2-[4-[(2-methylphenyl)carbamoyl]piperazin-1-yl]propanoic acid.

Molecular Properties

Compound Name2-[4-[(2-methylphenyl)carbamoyl]piperazin-1-yl]propanoic acid
PubChem CID62310905
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name2-[4-[(2-methylphenyl)carbamoyl]piperazin-1-yl]propanoic acid
SMILESCc1ccccc1NC(=O)N1CCN(C(C)C(=O)O)CC1
InChIInChI=1S/C15H21N3O3/c1-11-5-3-4-6-13(11)16-15(21)18-9-7-17(8-10-18)12(2)14(19)20/h3-6,12H,7-10H2,1-2H3,(H,16,21)(H,19,20)
InChIKeyAJQGOJWZSIMIRS-UHFFFAOYSA-N
XLogP1.62
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 ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-acetylpiperazin-1-yl)-N-(2-methylphenyl)propanamide
CID 51167865
N-(2-methylphenyl)azepane-1-carboxamide
CID 19165583
2-[4-(pyrimidin-2-ylcarbamoyl)piperazin-1-yl]propanoic acid
CID 62312091
4-[(2R)-1-amino-1-oxopropan-2-yl]-N-(2-chlorophenyl)piperazine-1-carboxamide
CID 96536495
4-[(2S)-1-amino-1-oxopropan-2-yl]-N-(2-chlorophenyl)piperazine-1-carboxamide
CID 96536494
N-(2-methoxyphenyl)-4-propan-2-ylpiperazine-1-carboxamide
CID 17185460
4-[(2-methylphenyl)carbamothioyl]-N-phenylpiperazine-1-carboxamide
CID 9240899
N-(2-methylphenyl)-4-(4-piperidin-1-ylphenyl)piperazine-1-carboxamide
CID 113111145
(2S)-N-(2-methylphenyl)-2-[4-[(2R)-oxolane-2-carbonyl]piperazin-1-yl]propanamide
CID 92513883
(2R)-N-(2-methylphenyl)-2-[4-[(2R)-1,1,1-trifluoropropan-2-yl]piperazin-1-yl]propanamide
CID 129397528
4-[(4-chlorophenyl)methyl]-N-(2-methylphenyl)piperazine-1-carboxamide
CID 6471022
4-(4-methoxyphenyl)-N-(2-methylphenyl)piperazine-1-carboxamide
CID 6460818

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-methylphenyl)carbamoyl]piperazin-1-yl]propanoic acid?
The IUPAC name of 2-[4-[(2-methylphenyl)carbamoyl]piperazin-1-yl]propanoic acid (CID 62310905) is 2-[4-[(2-methylphenyl)carbamoyl]piperazin-1-yl]propanoic acid.
What is the SMILES notation for 2-[4-[(2-methylphenyl)carbamoyl]piperazin-1-yl]propanoic acid?
The canonical SMILES for 2-[4-[(2-methylphenyl)carbamoyl]piperazin-1-yl]propanoic acid is Cc1ccccc1NC(=O)N1CCN(C(C)C(=O)O)CC1.
What is the InChIKey of 2-[4-[(2-methylphenyl)carbamoyl]piperazin-1-yl]propanoic acid?
The InChIKey is AJQGOJWZSIMIRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-11-5-3-4-6-13(11)16-15(21)18-9-7-17(8-10-18)12(2)14(19)20/h3-6,12H,7-10H2,1-2H3,(H,16,21)(H,19,20).
What are the key properties of 2-[4-[(2-methylphenyl)carbamoyl]piperazin-1-yl]propanoic acid?
2-[4-[(2-methylphenyl)carbamoyl]piperazin-1-yl]propanoic acid has a molecular weight of 291.35 g/mol, XLogP of 1.62, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-methylphenyl)carbamoyl]piperazin-1-yl]propanoic acid is sourced from PubChem (CID 62310905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).