1-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-3-(2-hydroxyethyl)urea

C15H22FN3O2 — CID 111424850

IUPAC1-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-3-(2-hydroxyethyl)urea
SMILESCc1ccc(F)c(N2CCCC(NC(=O)NCCO)C2)c1
InChIInChI=1S/C15H22FN3O2/c1-11-4-5-13(16)14(9-11)19-7-2-3-12(10-19)18-15(21)17-6-8-20/h4-5,9,12,20H,2-3,6-8,10H2,1H3,(H2,17,18,21)
InChIKeyMTECEMVEEPXPLT-UHFFFAOYSA-N
MW295.36 g/mol
LogP1.39
Rot. Bonds4

About 1-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-3-(2-hydroxyethyl)urea

1-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-3-(2-hydroxyethyl)urea (PubChem CID 111424850) has the molecular formula C15H22FN3O2 and a molecular weight of 295.36 g/mol. Its IUPAC name is 1-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-3-(2-hydroxyethyl)urea.

Molecular Properties

Compound Name1-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-3-(2-hydroxyethyl)urea
PubChem CID111424850
Molecular FormulaC15H22FN3O2
Molecular Weight295.36 g/mol
Exact Mass295.17
IUPAC Name1-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-3-(2-hydroxyethyl)urea
SMILESCc1ccc(F)c(N2CCCC(NC(=O)NCCO)C2)c1
InChIInChI=1S/C15H22FN3O2/c1-11-4-5-13(16)14(9-11)19-7-2-3-12(10-19)18-15(21)17-6-8-20/h4-5,9,12,20H,2-3,6-8,10H2,1H3,(H2,17,18,21)
InChIKeyMTECEMVEEPXPLT-UHFFFAOYSA-N
XLogP1.39
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 51.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-3-[2-(3-hydroxyphenyl)ethyl]urea
CID 86967320
2,5-difluoro-N-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]benzamide
CID 86965224
N-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 111428371
N-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-3-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 111444175
2-[4-[[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]carbamoylamino]piperidin-1-yl]-N-methylacetamide
CID 86966890
1-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-3-(1-propylsulfonylpiperidin-4-yl)urea
CID 86966897
N-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-2-(3-fluorophenyl)acetamide
CID 86965219
1-N-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-4-N-propylpiperidine-1,4-dicarboxamide
CID 86967402
N-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-4-oxo-4-phenylbutanamide
CID 86966256
N-[(3S)-1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-2-pyrazol-1-ylacetamide
CID 95629388
3-[(3S)-1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-1-[(3R)-3-hydroxybutyl]-1-methylurea
CID 97069908
N-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-3-methoxythiophene-2-carboxamide
CID 86965351

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-3-(2-hydroxyethyl)urea?
The IUPAC name of 1-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-3-(2-hydroxyethyl)urea (CID 111424850) is 1-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-3-(2-hydroxyethyl)urea.
What is the SMILES notation for 1-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-3-(2-hydroxyethyl)urea?
The canonical SMILES for 1-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-3-(2-hydroxyethyl)urea is Cc1ccc(F)c(N2CCCC(NC(=O)NCCO)C2)c1.
What is the InChIKey of 1-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-3-(2-hydroxyethyl)urea?
The InChIKey is MTECEMVEEPXPLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN3O2/c1-11-4-5-13(16)14(9-11)19-7-2-3-12(10-19)18-15(21)17-6-8-20/h4-5,9,12,20H,2-3,6-8,10H2,1H3,(H2,17,18,21).
What are the key properties of 1-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-3-(2-hydroxyethyl)urea?
1-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-3-(2-hydroxyethyl)urea has a molecular weight of 295.36 g/mol, XLogP of 1.39, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-3-(2-hydroxyethyl)urea is sourced from PubChem (CID 111424850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).