2-[4-[(3,4-dimethylpiperazine-1-carbonyl)amino]phenyl]acetic acid

C15H21N3O3 — CID 63605276

IUPAC2-[4-[(3,4-dimethylpiperazine-1-carbonyl)amino]phenyl]acetic acid
SMILESCC1CN(C(=O)Nc2ccc(CC(=O)O)cc2)CCN1C
InChIInChI=1S/C15H21N3O3/c1-11-10-18(8-7-17(11)2)15(21)16-13-5-3-12(4-6-13)9-14(19)20/h3-6,11H,7-10H2,1-2H3,(H,16,21)(H,19,20)
InChIKeyKBAXIRNRXFKBTE-UHFFFAOYSA-N
MW291.35 g/mol
LogP1.48
Rot. Bonds3

About 2-[4-[(3,4-dimethylpiperazine-1-carbonyl)amino]phenyl]acetic acid

2-[4-[(3,4-dimethylpiperazine-1-carbonyl)amino]phenyl]acetic acid (PubChem CID 63605276) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is 2-[4-[(3,4-dimethylpiperazine-1-carbonyl)amino]phenyl]acetic acid.

Molecular Properties

Compound Name2-[4-[(3,4-dimethylpiperazine-1-carbonyl)amino]phenyl]acetic acid
PubChem CID63605276
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name2-[4-[(3,4-dimethylpiperazine-1-carbonyl)amino]phenyl]acetic acid
SMILESCC1CN(C(=O)Nc2ccc(CC(=O)O)cc2)CCN1C
InChIInChI=1S/C15H21N3O3/c1-11-10-18(8-7-17(11)2)15(21)16-13-5-3-12(4-6-13)9-14(19)20/h3-6,11H,7-10H2,1-2H3,(H,16,21)(H,19,20)
InChIKeyKBAXIRNRXFKBTE-UHFFFAOYSA-N
XLogP1.48
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 ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[(3,5-dimethylpiperidine-1-carbonyl)amino]phenyl]acetic acid
CID 61191743
2-[4-[(4-methylpiperazine-1-carbonyl)amino]phenyl]acetic acid
CID 61186612
2-[4-[(3-hydroxypyrrolidine-1-carbonyl)amino]phenyl]acetic acid
CID 62941390
2-[4-[[3-(hydroxymethyl)piperidine-1-carbonyl]amino]phenyl]acetic acid
CID 61200700
2-[4-[(3,4-dimethylpiperazin-1-yl)methyl]phenyl]acetic acid
CID 105346018
2-[4-[(4-ethylpiperidine-1-carbonyl)amino]phenyl]acetic acid
CID 61422145
3-[4-[(3,4-dimethylpyrrolidine-1-carbonyl)amino]phenyl]propanoic acid
CID 115340995
3-[(3,4-dimethylpiperazine-1-carbonyl)amino]butanoic acid
CID 63605097
3-[(3,4-dimethylpiperazine-1-carbonyl)amino]-2-methylbenzoic acid
CID 63604057
methyl 2-[[2-[4-[[(2S)-2-methylmorpholine-4-carbonyl]amino]phenyl]acetyl]amino]acetate
CID 94167830
1-N,4-N-bis(4-chlorophenyl)-2-methylpiperazine-1,4-dicarboxamide
CID 4052686
4-(2-methoxyethyl)-3,5-dimethyl-N-phenylpiperazine-1-carboxamide
CID 110290209

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3,4-dimethylpiperazine-1-carbonyl)amino]phenyl]acetic acid?
The IUPAC name of 2-[4-[(3,4-dimethylpiperazine-1-carbonyl)amino]phenyl]acetic acid (CID 63605276) is 2-[4-[(3,4-dimethylpiperazine-1-carbonyl)amino]phenyl]acetic acid.
What is the SMILES notation for 2-[4-[(3,4-dimethylpiperazine-1-carbonyl)amino]phenyl]acetic acid?
The canonical SMILES for 2-[4-[(3,4-dimethylpiperazine-1-carbonyl)amino]phenyl]acetic acid is CC1CN(C(=O)Nc2ccc(CC(=O)O)cc2)CCN1C.
What is the InChIKey of 2-[4-[(3,4-dimethylpiperazine-1-carbonyl)amino]phenyl]acetic acid?
The InChIKey is KBAXIRNRXFKBTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-11-10-18(8-7-17(11)2)15(21)16-13-5-3-12(4-6-13)9-14(19)20/h3-6,11H,7-10H2,1-2H3,(H,16,21)(H,19,20).
What are the key properties of 2-[4-[(3,4-dimethylpiperazine-1-carbonyl)amino]phenyl]acetic acid?
2-[4-[(3,4-dimethylpiperazine-1-carbonyl)amino]phenyl]acetic acid has a molecular weight of 291.35 g/mol, XLogP of 1.48, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3,4-dimethylpiperazine-1-carbonyl)amino]phenyl]acetic acid is sourced from PubChem (CID 63605276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).