1-[1-(2-fluorobenzoyl)piperidin-4-yl]-3-(13-tricyclo[8.2.1.03,8]trideca-3,5,7-trienyl)urea

C26H30FN3O2 — CID 154837131

IUPAC1-[1-(2-fluorobenzoyl)piperidin-4-yl]-3-(13-tricyclo[8.2.1.03,8]trideca-3,5,7-trienyl)urea
SMILESO=C(NC1CCN(C(=O)c2ccccc2F)CC1)NC1C2CCC1Cc1ccccc1C2
InChIInChI=1S/C26H30FN3O2/c27-23-8-4-3-7-22(23)25(31)30-13-11-21(12-14-30)28-26(32)29-24-19-9-10-20(24)16-18-6-2-1-5-17(18)15-19/h1-8,19-21,24H,9-16H2,(H2,28,29,32)
InChIKeyIZSQSLKVYPLHJY-UHFFFAOYSA-N
MW435.54 g/mol
LogP3.92
Rot. Bonds3

About 1-[1-(2-fluorobenzoyl)piperidin-4-yl]-3-(13-tricyclo[8.2.1.03,8]trideca-3,5,7-trienyl)urea

1-[1-(2-fluorobenzoyl)piperidin-4-yl]-3-(13-tricyclo[8.2.1.03,8]trideca-3,5,7-trienyl)urea (PubChem CID 154837131) has the molecular formula C26H30FN3O2 and a molecular weight of 435.54 g/mol. Its IUPAC name is 1-[1-(2-fluorobenzoyl)piperidin-4-yl]-3-(13-tricyclo[8.2.1.03,8]trideca-3,5,7-trienyl)urea.

Molecular Properties

Compound Name1-[1-(2-fluorobenzoyl)piperidin-4-yl]-3-(13-tricyclo[8.2.1.03,8]trideca-3,5,7-trienyl)urea
PubChem CID154837131
Molecular FormulaC26H30FN3O2
Molecular Weight435.54 g/mol
Exact Mass435.23
IUPAC Name1-[1-(2-fluorobenzoyl)piperidin-4-yl]-3-(13-tricyclo[8.2.1.03,8]trideca-3,5,7-trienyl)urea
SMILESO=C(NC1CCN(C(=O)c2ccccc2F)CC1)NC1C2CCC1Cc1ccccc1C2
InChIInChI=1S/C26H30FN3O2/c27-23-8-4-3-7-22(23)25(31)30-13-11-21(12-14-30)28-26(32)29-24-19-9-10-20(24)16-18-6-2-1-5-17(18)15-19/h1-8,19-21,24H,9-16H2,(H2,28,29,32)
InChIKeyIZSQSLKVYPLHJY-UHFFFAOYSA-N
XLogP3.92
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.54
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-[1-(2-fluorobenzoyl)piperidin-4-yl]-3-(13-tricyclo[8.2.1.03,8]trideca-3,5,7-trienyl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[1-(4-methylbenzoyl)piperidin-4-yl]-3-(13-tricyclo[8.2.1.03,8]trideca-3,5,7-trienyl)urea
CID 154860556
N-[1-(2-fluorobenzoyl)piperidin-4-yl]-5-oxopyrrolidine-2-carboxamide
CID 110820368
N-[1-(2-fluorobenzoyl)piperidin-4-yl]cyclohexanecarboxamide
CID 110820345
2-amino-N-[1-(2-fluorobenzoyl)piperidin-4-yl]benzamide
CID 119944331
2-[4-[(2-fluorobenzoyl)amino]piperidine-1-carbonyl]benzoic acid
CID 113083297
2-fluoro-N-[1-(2-hydroxybenzoyl)piperidin-4-yl]benzamide
CID 108549339
3-chloro-N-[1-(2-fluorobenzoyl)piperidin-4-yl]propanamide
CID 108563637
N-[1-(2-fluorobenzoyl)piperidin-4-yl]naphthalene-1-carboxamide
CID 108553997
4-amino-N-[1-(2-fluorobenzoyl)piperidin-4-yl]butanamide
CID 119282477
4-amino-N-[1-(2-fluorobenzoyl)piperidin-4-yl]benzamide;hydrochloride
CID 119710955
1-[1-(2-fluorobenzoyl)piperidin-4-yl]-3-(thiophen-2-ylmethyl)urea
CID 86998872
N-cycloheptyl-1-(2-fluorobenzoyl)piperidine-4-carboxamide
CID 17019024

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-fluorobenzoyl)piperidin-4-yl]-3-(13-tricyclo[8.2.1.03,8]trideca-3,5,7-trienyl)urea?
The IUPAC name of 1-[1-(2-fluorobenzoyl)piperidin-4-yl]-3-(13-tricyclo[8.2.1.03,8]trideca-3,5,7-trienyl)urea (CID 154837131) is 1-[1-(2-fluorobenzoyl)piperidin-4-yl]-3-(13-tricyclo[8.2.1.03,8]trideca-3,5,7-trienyl)urea.
What is the SMILES notation for 1-[1-(2-fluorobenzoyl)piperidin-4-yl]-3-(13-tricyclo[8.2.1.03,8]trideca-3,5,7-trienyl)urea?
The canonical SMILES for 1-[1-(2-fluorobenzoyl)piperidin-4-yl]-3-(13-tricyclo[8.2.1.03,8]trideca-3,5,7-trienyl)urea is O=C(NC1CCN(C(=O)c2ccccc2F)CC1)NC1C2CCC1Cc1ccccc1C2.
What is the InChIKey of 1-[1-(2-fluorobenzoyl)piperidin-4-yl]-3-(13-tricyclo[8.2.1.03,8]trideca-3,5,7-trienyl)urea?
The InChIKey is IZSQSLKVYPLHJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30FN3O2/c27-23-8-4-3-7-22(23)25(31)30-13-11-21(12-14-30)28-26(32)29-24-19-9-10-20(24)16-18-6-2-1-5-17(18)15-19/h1-8,19-21,24H,9-16H2,(H2,28,29,32).
What are the key properties of 1-[1-(2-fluorobenzoyl)piperidin-4-yl]-3-(13-tricyclo[8.2.1.03,8]trideca-3,5,7-trienyl)urea?
1-[1-(2-fluorobenzoyl)piperidin-4-yl]-3-(13-tricyclo[8.2.1.03,8]trideca-3,5,7-trienyl)urea has a molecular weight of 435.54 g/mol, XLogP of 3.92, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-fluorobenzoyl)piperidin-4-yl]-3-(13-tricyclo[8.2.1.03,8]trideca-3,5,7-trienyl)urea is sourced from PubChem (CID 154837131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).