1-[1-(2-fluorobenzoyl)piperidin-4-yl]-3-(thiophen-2-ylmethyl)urea

C18H20FN3O2S — CID 86998872

IUPAC1-[1-(2-fluorobenzoyl)piperidin-4-yl]-3-(thiophen-2-ylmethyl)urea
SMILESO=C(NCc1cccs1)NC1CCN(C(=O)c2ccccc2F)CC1
InChIInChI=1S/C18H20FN3O2S/c19-16-6-2-1-5-15(16)17(23)22-9-7-13(8-10-22)21-18(24)20-12-14-4-3-11-25-14/h1-6,11,13H,7-10,12H2,(H2,20,21,24)
InChIKeyHXRQZLIGQMNYIL-UHFFFAOYSA-N
MW361.44 g/mol
LogP2.99
Rot. Bonds4

About 1-[1-(2-fluorobenzoyl)piperidin-4-yl]-3-(thiophen-2-ylmethyl)urea

1-[1-(2-fluorobenzoyl)piperidin-4-yl]-3-(thiophen-2-ylmethyl)urea (PubChem CID 86998872) has the molecular formula C18H20FN3O2S and a molecular weight of 361.44 g/mol. Its IUPAC name is 1-[1-(2-fluorobenzoyl)piperidin-4-yl]-3-(thiophen-2-ylmethyl)urea.

Molecular Properties

Compound Name1-[1-(2-fluorobenzoyl)piperidin-4-yl]-3-(thiophen-2-ylmethyl)urea
PubChem CID86998872
Molecular FormulaC18H20FN3O2S
Molecular Weight361.44 g/mol
Exact Mass361.13
IUPAC Name1-[1-(2-fluorobenzoyl)piperidin-4-yl]-3-(thiophen-2-ylmethyl)urea
SMILESO=C(NCc1cccs1)NC1CCN(C(=O)c2ccccc2F)CC1
InChIInChI=1S/C18H20FN3O2S/c19-16-6-2-1-5-15(16)17(23)22-9-7-13(8-10-22)21-18(24)20-12-14-4-3-11-25-14/h1-6,11,13H,7-10,12H2,(H2,20,21,24)
InChIKeyHXRQZLIGQMNYIL-UHFFFAOYSA-N
XLogP2.99
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.44
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(2-fluorobenzoyl)piperidin-4-yl]-2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrole-3-carboxamide
CID 55962947
1-(1-methylsulfonylpiperidin-4-yl)-3-(thiophen-2-ylmethyl)urea
CID 36509584
tert-butyl (3R)-3-(thiophen-2-ylmethylcarbamoylamino)pyrrolidine-1-carboxylate
CID 95765272
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
1-[1-(2-fluorobenzoyl)piperidin-4-yl]-3-(13-tricyclo[8.2.1.03,8]trideca-3,5,7-trienyl)urea
CID 154837131
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
7-amino-N-[1-(2-fluorobenzoyl)piperidin-4-yl]heptanamide
CID 119710944

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-fluorobenzoyl)piperidin-4-yl]-3-(thiophen-2-ylmethyl)urea?
The IUPAC name of 1-[1-(2-fluorobenzoyl)piperidin-4-yl]-3-(thiophen-2-ylmethyl)urea (CID 86998872) is 1-[1-(2-fluorobenzoyl)piperidin-4-yl]-3-(thiophen-2-ylmethyl)urea.
What is the SMILES notation for 1-[1-(2-fluorobenzoyl)piperidin-4-yl]-3-(thiophen-2-ylmethyl)urea?
The canonical SMILES for 1-[1-(2-fluorobenzoyl)piperidin-4-yl]-3-(thiophen-2-ylmethyl)urea is O=C(NCc1cccs1)NC1CCN(C(=O)c2ccccc2F)CC1.
What is the InChIKey of 1-[1-(2-fluorobenzoyl)piperidin-4-yl]-3-(thiophen-2-ylmethyl)urea?
The InChIKey is HXRQZLIGQMNYIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN3O2S/c19-16-6-2-1-5-15(16)17(23)22-9-7-13(8-10-22)21-18(24)20-12-14-4-3-11-25-14/h1-6,11,13H,7-10,12H2,(H2,20,21,24).
What are the key properties of 1-[1-(2-fluorobenzoyl)piperidin-4-yl]-3-(thiophen-2-ylmethyl)urea?
1-[1-(2-fluorobenzoyl)piperidin-4-yl]-3-(thiophen-2-ylmethyl)urea has a molecular weight of 361.44 g/mol, XLogP of 2.99, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-fluorobenzoyl)piperidin-4-yl]-3-(thiophen-2-ylmethyl)urea is sourced from PubChem (CID 86998872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).