3-(5-fluoro-2-piperidin-1-ylphenyl)-1-(2-hydroxypropyl)-1-propan-2-ylurea

C18H28FN3O2 — CID 111969732

IUPAC3-(5-fluoro-2-piperidin-1-ylphenyl)-1-(2-hydroxypropyl)-1-propan-2-ylurea
SMILESCC(O)CN(C(=O)Nc1cc(F)ccc1N1CCCCC1)C(C)C
InChIInChI=1S/C18H28FN3O2/c1-13(2)22(12-14(3)23)18(24)20-16-11-15(19)7-8-17(16)21-9-5-4-6-10-21/h7-8,11,13-14,23H,4-6,9-10,12H2,1-3H3,(H,20,24)
InChIKeyPZEQGIQOOYRAIT-UHFFFAOYSA-N
MW337.44 g/mol
LogP3.44
Rot. Bonds5

About 3-(5-fluoro-2-piperidin-1-ylphenyl)-1-(2-hydroxypropyl)-1-propan-2-ylurea

3-(5-fluoro-2-piperidin-1-ylphenyl)-1-(2-hydroxypropyl)-1-propan-2-ylurea (PubChem CID 111969732) has the molecular formula C18H28FN3O2 and a molecular weight of 337.44 g/mol. Its IUPAC name is 3-(5-fluoro-2-piperidin-1-ylphenyl)-1-(2-hydroxypropyl)-1-propan-2-ylurea.

Molecular Properties

Compound Name3-(5-fluoro-2-piperidin-1-ylphenyl)-1-(2-hydroxypropyl)-1-propan-2-ylurea
PubChem CID111969732
Molecular FormulaC18H28FN3O2
Molecular Weight337.44 g/mol
Exact Mass337.22
IUPAC Name3-(5-fluoro-2-piperidin-1-ylphenyl)-1-(2-hydroxypropyl)-1-propan-2-ylurea
SMILESCC(O)CN(C(=O)Nc1cc(F)ccc1N1CCCCC1)C(C)C
InChIInChI=1S/C18H28FN3O2/c1-13(2)22(12-14(3)23)18(24)20-16-11-15(19)7-8-17(16)21-9-5-4-6-10-21/h7-8,11,13-14,23H,4-6,9-10,12H2,1-3H3,(H,20,24)
InChIKeyPZEQGIQOOYRAIT-UHFFFAOYSA-N
XLogP3.44
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.44
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-fluorophenyl)-1-(2-hydroxypropyl)-1-propan-2-ylurea
CID 111112642
3-[2-(cyclopropylmethoxy)-4-fluorophenyl]-1-(2-hydroxypropyl)-1-propan-2-ylurea
CID 111969771
4-fluoro-N-(5-fluoro-2-pyrrolidin-1-ylphenyl)benzamide
CID 113092338
N-(5-fluoro-2-piperidin-1-ylphenyl)benzamide
CID 113092590
(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(5-fluoro-2-piperidin-1-ylphenyl)propanamide
CID 95143206
N-(5-fluoro-2-pyrrolidin-1-ylphenyl)cyclobutanecarboxamide
CID 113092391
2-fluoro-N-(5-fluoro-2-piperidin-1-ylphenyl)benzamide
CID 113092591
3-fluoro-N-(5-fluoro-2-pyrrolidin-1-ylphenyl)benzamide
CID 113092337
N-(5-fluoro-2-piperidin-1-ylphenyl)oxane-4-carboxamide
CID 113092620
N-(5-fluoro-2-piperidin-1-ylphenyl)-2-phenoxyacetamide
CID 113092602
3-[5-fluoro-2-(4-methylpiperazin-1-yl)phenyl]-1-(2-methoxyethyl)-1-methylurea
CID 56827083
4-bromo-N-(5-fluoro-2-pyrrolidin-1-ylphenyl)benzamide
CID 113092341

Frequently Asked Questions

What is the IUPAC name of 3-(5-fluoro-2-piperidin-1-ylphenyl)-1-(2-hydroxypropyl)-1-propan-2-ylurea?
The IUPAC name of 3-(5-fluoro-2-piperidin-1-ylphenyl)-1-(2-hydroxypropyl)-1-propan-2-ylurea (CID 111969732) is 3-(5-fluoro-2-piperidin-1-ylphenyl)-1-(2-hydroxypropyl)-1-propan-2-ylurea.
What is the SMILES notation for 3-(5-fluoro-2-piperidin-1-ylphenyl)-1-(2-hydroxypropyl)-1-propan-2-ylurea?
The canonical SMILES for 3-(5-fluoro-2-piperidin-1-ylphenyl)-1-(2-hydroxypropyl)-1-propan-2-ylurea is CC(O)CN(C(=O)Nc1cc(F)ccc1N1CCCCC1)C(C)C.
What is the InChIKey of 3-(5-fluoro-2-piperidin-1-ylphenyl)-1-(2-hydroxypropyl)-1-propan-2-ylurea?
The InChIKey is PZEQGIQOOYRAIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28FN3O2/c1-13(2)22(12-14(3)23)18(24)20-16-11-15(19)7-8-17(16)21-9-5-4-6-10-21/h7-8,11,13-14,23H,4-6,9-10,12H2,1-3H3,(H,20,24).
What are the key properties of 3-(5-fluoro-2-piperidin-1-ylphenyl)-1-(2-hydroxypropyl)-1-propan-2-ylurea?
3-(5-fluoro-2-piperidin-1-ylphenyl)-1-(2-hydroxypropyl)-1-propan-2-ylurea has a molecular weight of 337.44 g/mol, XLogP of 3.44, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-fluoro-2-piperidin-1-ylphenyl)-1-(2-hydroxypropyl)-1-propan-2-ylurea is sourced from PubChem (CID 111969732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).