4-[4-[(2-fluorophenyl)carbamoylamino]phenyl]piperazine-1-carboxylic acid

C18H19FN4O3 — CID 69450119

IUPAC4-[4-[(2-fluorophenyl)carbamoylamino]phenyl]piperazine-1-carboxylic acid
SMILESO=C(Nc1ccc(N2CCN(C(=O)O)CC2)cc1)Nc1ccccc1F
InChIInChI=1S/C18H19FN4O3/c19-15-3-1-2-4-16(15)21-17(24)20-13-5-7-14(8-6-13)22-9-11-23(12-10-22)18(25)26/h1-8H,9-12H2,(H,25,26)(H2,20,21,24)
InChIKeySLCPBFQDBJPHBA-UHFFFAOYSA-N
MW358.37 g/mol
LogP3.27
Rot. Bonds3

About 4-[4-[(2-fluorophenyl)carbamoylamino]phenyl]piperazine-1-carboxylic acid

4-[4-[(2-fluorophenyl)carbamoylamino]phenyl]piperazine-1-carboxylic acid (PubChem CID 69450119) has the molecular formula C18H19FN4O3 and a molecular weight of 358.37 g/mol. Its IUPAC name is 4-[4-[(2-fluorophenyl)carbamoylamino]phenyl]piperazine-1-carboxylic acid.

Molecular Properties

Compound Name4-[4-[(2-fluorophenyl)carbamoylamino]phenyl]piperazine-1-carboxylic acid
PubChem CID69450119
Molecular FormulaC18H19FN4O3
Molecular Weight358.37 g/mol
Exact Mass358.14
IUPAC Name4-[4-[(2-fluorophenyl)carbamoylamino]phenyl]piperazine-1-carboxylic acid
SMILESO=C(Nc1ccc(N2CCN(C(=O)O)CC2)cc1)Nc1ccccc1F
InChIInChI=1S/C18H19FN4O3/c19-15-3-1-2-4-16(15)21-17(24)20-13-5-7-14(8-6-13)22-9-11-23(12-10-22)18(25)26/h1-8H,9-12H2,(H,25,26)(H2,20,21,24)
InChIKeySLCPBFQDBJPHBA-UHFFFAOYSA-N
XLogP3.27
TPSA84.91 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.37
LogP ≤ 53.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

1-(2-fluorophenyl)-3-(4-piperazin-1-ylphenyl)urea
CID 69452265
1-(2-fluorophenyl)-3-[2-(4-phenylpiperazin-1-yl)pyrimidin-5-yl]urea
CID 71790143
4-[4-[(5-chloro-2-methoxyphenyl)carbamoylamino]phenyl]-N-(2-fluorophenyl)piperazine-1-carboxamide
CID 91077574
N'-(2-fluorophenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]propanediamide
CID 108954773
1-[4-(4-benzoylpiperazin-1-yl)phenyl]-3-naphthalen-1-ylurea
CID 1056346
4-[4-(cyclopropanecarbonyl)piperazin-1-yl]-N-(2-fluorophenyl)benzamide
CID 110420258
N-(2,6-difluorophenyl)-4-[5-[(2-fluorophenyl)carbamoylamino]-2-pyridinyl]piperazine-1-carboxamide
CID 69454094
1-[4-(4-benzoylpiperazin-1-yl)phenyl]-3-(3-chloro-4-fluorophenyl)urea
CID 1056355
4-(3,4-difluorophenyl)-N-(2-fluorophenyl)piperazine-1-carboxamide
CID 113112770
4-[4-(dimethylamino)phenyl]-N-(2-fluorophenyl)piperazine-1-carboxamide
CID 113112737
tert-butyl 4-[4-[(2-methylsulfanylphenyl)carbamoylamino]phenyl]piperazine-1-carboxylate
CID 69449605
2-fluoro-N-[4-[4-(2-fluorobenzoyl)piperazin-1-yl]phenyl]benzamide
CID 17273892

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(2-fluorophenyl)carbamoylamino]phenyl]piperazine-1-carboxylic acid?
The IUPAC name of 4-[4-[(2-fluorophenyl)carbamoylamino]phenyl]piperazine-1-carboxylic acid (CID 69450119) is 4-[4-[(2-fluorophenyl)carbamoylamino]phenyl]piperazine-1-carboxylic acid.
What is the SMILES notation for 4-[4-[(2-fluorophenyl)carbamoylamino]phenyl]piperazine-1-carboxylic acid?
The canonical SMILES for 4-[4-[(2-fluorophenyl)carbamoylamino]phenyl]piperazine-1-carboxylic acid is O=C(Nc1ccc(N2CCN(C(=O)O)CC2)cc1)Nc1ccccc1F.
What is the InChIKey of 4-[4-[(2-fluorophenyl)carbamoylamino]phenyl]piperazine-1-carboxylic acid?
The InChIKey is SLCPBFQDBJPHBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN4O3/c19-15-3-1-2-4-16(15)21-17(24)20-13-5-7-14(8-6-13)22-9-11-23(12-10-22)18(25)26/h1-8H,9-12H2,(H,25,26)(H2,20,21,24).
What are the key properties of 4-[4-[(2-fluorophenyl)carbamoylamino]phenyl]piperazine-1-carboxylic acid?
4-[4-[(2-fluorophenyl)carbamoylamino]phenyl]piperazine-1-carboxylic acid has a molecular weight of 358.37 g/mol, XLogP of 3.27, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(2-fluorophenyl)carbamoylamino]phenyl]piperazine-1-carboxylic acid is sourced from PubChem (CID 69450119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).