2-[4-[(4-methylpiperazine-1-carbonyl)amino]phenyl]acetic acid

C14H19N3O3 — CID 61186612

IUPAC2-[4-[(4-methylpiperazine-1-carbonyl)amino]phenyl]acetic acid
SMILESCN1CCN(C(=O)Nc2ccc(CC(=O)O)cc2)CC1
InChIInChI=1S/C14H19N3O3/c1-16-6-8-17(9-7-16)14(20)15-12-4-2-11(3-5-12)10-13(18)19/h2-5H,6-10H2,1H3,(H,15,20)(H,18,19)
InChIKeyRSNRCVNPFAWOKC-UHFFFAOYSA-N
MW277.32 g/mol
LogP1.09
Rot. Bonds3

About 2-[4-[(4-methylpiperazine-1-carbonyl)amino]phenyl]acetic acid

2-[4-[(4-methylpiperazine-1-carbonyl)amino]phenyl]acetic acid (PubChem CID 61186612) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is 2-[4-[(4-methylpiperazine-1-carbonyl)amino]phenyl]acetic acid.

Molecular Properties

Compound Name2-[4-[(4-methylpiperazine-1-carbonyl)amino]phenyl]acetic acid
PubChem CID61186612
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Name2-[4-[(4-methylpiperazine-1-carbonyl)amino]phenyl]acetic acid
SMILESCN1CCN(C(=O)Nc2ccc(CC(=O)O)cc2)CC1
InChIInChI=1S/C14H19N3O3/c1-16-6-8-17(9-7-16)14(20)15-12-4-2-11(3-5-12)10-13(18)19/h2-5H,6-10H2,1H3,(H,15,20)(H,18,19)
InChIKeyRSNRCVNPFAWOKC-UHFFFAOYSA-N
XLogP1.09
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[(3,4-dimethylpiperazine-1-carbonyl)amino]phenyl]acetic acid
CID 63605276
2-[4-[(4-ethylpiperidine-1-carbonyl)amino]phenyl]acetic acid
CID 61422145
2-[4-[(3,5-dimethylpiperidine-1-carbonyl)amino]phenyl]acetic acid
CID 61191743
4-methyl-N-[4-(3-oxopropyl)phenyl]piperazine-1-carboxamide
CID 142072938
2-[4-[(3-hydroxypyrrolidine-1-carbonyl)amino]phenyl]acetic acid
CID 62941390
N-(4-acetylphenyl)-4-methylpiperazine-1-carboxamide
CID 47127479
N-[4-(4-methylpiperazin-1-yl)phenyl]-4-phenylpiperazine-1-carboxamide
CID 108989553
2-[4-(4-methylpiperazin-1-yl)phenyl]acetic acid
CID 28807075
2-[4-[[3-(hydroxymethyl)piperidine-1-carbonyl]amino]phenyl]acetic acid
CID 61200700
N-[4-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]phenyl]prop-2-enamide
CID 166406056
1-N,4-N-bis(4-methylphenyl)piperazine-1,4-dicarboxamide
CID 4055899
N-(3,4-difluorophenyl)-4-methylpiperazine-1-carboxamide
CID 21019691

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-methylpiperazine-1-carbonyl)amino]phenyl]acetic acid?
The IUPAC name of 2-[4-[(4-methylpiperazine-1-carbonyl)amino]phenyl]acetic acid (CID 61186612) is 2-[4-[(4-methylpiperazine-1-carbonyl)amino]phenyl]acetic acid.
What is the SMILES notation for 2-[4-[(4-methylpiperazine-1-carbonyl)amino]phenyl]acetic acid?
The canonical SMILES for 2-[4-[(4-methylpiperazine-1-carbonyl)amino]phenyl]acetic acid is CN1CCN(C(=O)Nc2ccc(CC(=O)O)cc2)CC1.
What is the InChIKey of 2-[4-[(4-methylpiperazine-1-carbonyl)amino]phenyl]acetic acid?
The InChIKey is RSNRCVNPFAWOKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-16-6-8-17(9-7-16)14(20)15-12-4-2-11(3-5-12)10-13(18)19/h2-5H,6-10H2,1H3,(H,15,20)(H,18,19).
What are the key properties of 2-[4-[(4-methylpiperazine-1-carbonyl)amino]phenyl]acetic acid?
2-[4-[(4-methylpiperazine-1-carbonyl)amino]phenyl]acetic acid has a molecular weight of 277.32 g/mol, XLogP of 1.09, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-methylpiperazine-1-carbonyl)amino]phenyl]acetic acid is sourced from PubChem (CID 61186612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).