1-[1-(4-fluoro-2-methylphenyl)piperidin-3-yl]-3-(5-hydroxypentan-2-yl)urea

C18H28FN3O2 — CID 71921543

IUPAC1-[1-(4-fluoro-2-methylphenyl)piperidin-3-yl]-3-(5-hydroxypentan-2-yl)urea
SMILESCc1cc(F)ccc1N1CCCC(NC(=O)NC(C)CCCO)C1
InChIInChI=1S/C18H28FN3O2/c1-13-11-15(19)7-8-17(13)22-9-3-6-16(12-22)21-18(24)20-14(2)5-4-10-23/h7-8,11,14,16,23H,3-6,9-10,12H2,1-2H3,(H2,20,21,24)
InChIKeyCLCLKUMJVAZWCI-UHFFFAOYSA-N
MW337.44 g/mol
LogP2.56
Rot. Bonds6

About 1-[1-(4-fluoro-2-methylphenyl)piperidin-3-yl]-3-(5-hydroxypentan-2-yl)urea

1-[1-(4-fluoro-2-methylphenyl)piperidin-3-yl]-3-(5-hydroxypentan-2-yl)urea (PubChem CID 71921543) has the molecular formula C18H28FN3O2 and a molecular weight of 337.44 g/mol. Its IUPAC name is 1-[1-(4-fluoro-2-methylphenyl)piperidin-3-yl]-3-(5-hydroxypentan-2-yl)urea.

Molecular Properties

Compound Name1-[1-(4-fluoro-2-methylphenyl)piperidin-3-yl]-3-(5-hydroxypentan-2-yl)urea
PubChem CID71921543
Molecular FormulaC18H28FN3O2
Molecular Weight337.44 g/mol
Exact Mass337.22
IUPAC Name1-[1-(4-fluoro-2-methylphenyl)piperidin-3-yl]-3-(5-hydroxypentan-2-yl)urea
SMILESCc1cc(F)ccc1N1CCCC(NC(=O)NC(C)CCCO)C1
InChIInChI=1S/C18H28FN3O2/c1-13-11-15(19)7-8-17(13)22-9-3-6-16(12-22)21-18(24)20-14(2)5-4-10-23/h7-8,11,14,16,23H,3-6,9-10,12H2,1-2H3,(H2,20,21,24)
InChIKeyCLCLKUMJVAZWCI-UHFFFAOYSA-N
XLogP2.56
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.44
LogP ≤ 52.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3S)-1-(4-fluoro-2-methylphenyl)piperidin-3-yl]-3-[(2S)-4-hydroxy-2-methylbutyl]urea
CID 95936376
(2R)-2-amino-N-[1-(4-fluoro-2-methylphenyl)piperidin-3-yl]propanamide
CID 119883938
2-amino-N-[1-(4-fluoro-2-methylphenyl)piperidin-3-yl]acetamide
CID 119883950
2-amino-N-[1-(4-fluoro-2-methylphenyl)piperidin-3-yl]-2-methylpropanamide;dihydrochloride
CID 119883913
1-[1-(4-fluoro-2-methylphenyl)piperidin-3-yl]-3-(2-methyl-1,2,4-triazol-3-yl)urea
CID 136520325
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[1-(4-fluoro-2-methylphenyl)piperidin-3-yl]propanamide
CID 86965768
2-amino-N-[1-(4-fluoro-2-methylphenyl)piperidin-3-yl]-2-(4-methylphenyl)acetamide;dihydrochloride
CID 120670287
N-[(3R)-1-(4-fluoro-2-methylphenyl)piperidin-3-yl]-1,5-dimethylpyrazole-3-carboxamide
CID 95629403
N-[(3R)-1-(4-fluoro-2-methylphenyl)piperidin-3-yl]thiadiazole-5-carboxamide
CID 124565601
1-[1-(3-chloro-4-fluorophenyl)pyrrolidin-3-yl]-3-(5-hydroxypentan-2-yl)urea
CID 110012736
2-amino-N-[1-(4-fluoro-2-methylphenyl)piperidin-3-yl]-2-phenylpropanamide
CID 120596808
(2S,4S)-N-[1-(4-fluoro-2-methylphenyl)piperidin-3-yl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120636999

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-fluoro-2-methylphenyl)piperidin-3-yl]-3-(5-hydroxypentan-2-yl)urea?
The IUPAC name of 1-[1-(4-fluoro-2-methylphenyl)piperidin-3-yl]-3-(5-hydroxypentan-2-yl)urea (CID 71921543) is 1-[1-(4-fluoro-2-methylphenyl)piperidin-3-yl]-3-(5-hydroxypentan-2-yl)urea.
What is the SMILES notation for 1-[1-(4-fluoro-2-methylphenyl)piperidin-3-yl]-3-(5-hydroxypentan-2-yl)urea?
The canonical SMILES for 1-[1-(4-fluoro-2-methylphenyl)piperidin-3-yl]-3-(5-hydroxypentan-2-yl)urea is Cc1cc(F)ccc1N1CCCC(NC(=O)NC(C)CCCO)C1.
What is the InChIKey of 1-[1-(4-fluoro-2-methylphenyl)piperidin-3-yl]-3-(5-hydroxypentan-2-yl)urea?
The InChIKey is CLCLKUMJVAZWCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28FN3O2/c1-13-11-15(19)7-8-17(13)22-9-3-6-16(12-22)21-18(24)20-14(2)5-4-10-23/h7-8,11,14,16,23H,3-6,9-10,12H2,1-2H3,(H2,20,21,24).
What are the key properties of 1-[1-(4-fluoro-2-methylphenyl)piperidin-3-yl]-3-(5-hydroxypentan-2-yl)urea?
1-[1-(4-fluoro-2-methylphenyl)piperidin-3-yl]-3-(5-hydroxypentan-2-yl)urea has a molecular weight of 337.44 g/mol, XLogP of 2.56, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-fluoro-2-methylphenyl)piperidin-3-yl]-3-(5-hydroxypentan-2-yl)urea is sourced from PubChem (CID 71921543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).