1-[1-(2-aminobenzoyl)piperidin-4-yl]-3-(4-fluorophenyl)urea

C19H21FN4O2 — CID 119944747

IUPAC1-[1-(2-aminobenzoyl)piperidin-4-yl]-3-(4-fluorophenyl)urea
SMILESNc1ccccc1C(=O)N1CCC(NC(=O)Nc2ccc(F)cc2)CC1
InChIInChI=1S/C19H21FN4O2/c20-13-5-7-14(8-6-13)22-19(26)23-15-9-11-24(12-10-15)18(25)16-3-1-2-4-17(16)21/h1-8,15H,9-12,21H2,(H2,22,23,26)
InChIKeyPIKOKEHTBZUJQF-UHFFFAOYSA-N
MW356.40 g/mol
LogP2.83
Rot. Bonds3

About 1-[1-(2-aminobenzoyl)piperidin-4-yl]-3-(4-fluorophenyl)urea

1-[1-(2-aminobenzoyl)piperidin-4-yl]-3-(4-fluorophenyl)urea (PubChem CID 119944747) has the molecular formula C19H21FN4O2 and a molecular weight of 356.40 g/mol. Its IUPAC name is 1-[1-(2-aminobenzoyl)piperidin-4-yl]-3-(4-fluorophenyl)urea.

Molecular Properties

Compound Name1-[1-(2-aminobenzoyl)piperidin-4-yl]-3-(4-fluorophenyl)urea
PubChem CID119944747
Molecular FormulaC19H21FN4O2
Molecular Weight356.40 g/mol
Exact Mass356.16
IUPAC Name1-[1-(2-aminobenzoyl)piperidin-4-yl]-3-(4-fluorophenyl)urea
SMILESNc1ccccc1C(=O)N1CCC(NC(=O)Nc2ccc(F)cc2)CC1
InChIInChI=1S/C19H21FN4O2/c20-13-5-7-14(8-6-13)22-19(26)23-15-9-11-24(12-10-15)18(25)16-3-1-2-4-17(16)21/h1-8,15H,9-12,21H2,(H2,22,23,26)
InChIKeyPIKOKEHTBZUJQF-UHFFFAOYSA-N
XLogP2.83
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.40
LogP ≤ 52.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-(2-aminobenzoyl)-N-(4-fluorophenyl)piperidine-4-carboxamide
CID 119945231
1-(4-fluorophenyl)-3-[(3R)-1-(2-methylbenzoyl)pyrrolidin-3-yl]urea
CID 95288232
1-[1-(2-aminobenzoyl)piperidin-4-yl]-3-cyclohexylurea
CID 119944988
1-[1-[3-(2-aminophenyl)propanoyl]piperidin-4-yl]-3-(4-fluorophenyl)urea
CID 120609351
2-[4-(phenylcarbamoylamino)piperidine-1-carbonyl]benzoic acid
CID 113083323
[1-(2-aminobenzoyl)piperidin-4-yl]carbamic acid
CID 170325086
N-[1-(2-aminobenzoyl)piperidin-4-yl]cyclopropanecarboxamide
CID 60960262
2-amino-N-[1-(2-fluorobenzoyl)piperidin-4-yl]benzamide
CID 119944331
1-cyclopropyl-3-(4-fluorophenyl)urea
CID 840492
(2-aminophenyl)-[4-(4-fluorophenoxy)piperidin-1-yl]methanone
CID 119945105
1-[(3R)-1-(cyclopentanecarbonyl)pyrrolidin-3-yl]-3-(4-fluorophenyl)urea
CID 95302516
1-(4-fluorophenyl)-3-[1-[2-(methylamino)acetyl]piperidin-4-yl]urea
CID 119734443

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-aminobenzoyl)piperidin-4-yl]-3-(4-fluorophenyl)urea?
The IUPAC name of 1-[1-(2-aminobenzoyl)piperidin-4-yl]-3-(4-fluorophenyl)urea (CID 119944747) is 1-[1-(2-aminobenzoyl)piperidin-4-yl]-3-(4-fluorophenyl)urea.
What is the SMILES notation for 1-[1-(2-aminobenzoyl)piperidin-4-yl]-3-(4-fluorophenyl)urea?
The canonical SMILES for 1-[1-(2-aminobenzoyl)piperidin-4-yl]-3-(4-fluorophenyl)urea is Nc1ccccc1C(=O)N1CCC(NC(=O)Nc2ccc(F)cc2)CC1.
What is the InChIKey of 1-[1-(2-aminobenzoyl)piperidin-4-yl]-3-(4-fluorophenyl)urea?
The InChIKey is PIKOKEHTBZUJQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN4O2/c20-13-5-7-14(8-6-13)22-19(26)23-15-9-11-24(12-10-15)18(25)16-3-1-2-4-17(16)21/h1-8,15H,9-12,21H2,(H2,22,23,26).
What are the key properties of 1-[1-(2-aminobenzoyl)piperidin-4-yl]-3-(4-fluorophenyl)urea?
1-[1-(2-aminobenzoyl)piperidin-4-yl]-3-(4-fluorophenyl)urea has a molecular weight of 356.40 g/mol, XLogP of 2.83, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-aminobenzoyl)piperidin-4-yl]-3-(4-fluorophenyl)urea is sourced from PubChem (CID 119944747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).