1-(2-fluorophenyl)-3-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]urea

C18H22FN3O2 — CID 41013932

IUPAC1-(2-fluorophenyl)-3-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]urea
SMILESO=C(NC[C@@H](c1ccco1)N1CCCCC1)Nc1ccccc1F
InChIInChI=1S/C18H22FN3O2/c19-14-7-2-3-8-15(14)21-18(23)20-13-16(17-9-6-12-24-17)22-10-4-1-5-11-22/h2-3,6-9,12,16H,1,4-5,10-11,13H2,(H2,20,21,23)/t16-/m0/s1
InChIKeySXFOZTKIHIRWJG-INIZCTEOSA-N
MW331.39 g/mol
LogP3.77
Rot. Bonds5

About 1-(2-fluorophenyl)-3-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]urea

1-(2-fluorophenyl)-3-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]urea (PubChem CID 41013932) has the molecular formula C18H22FN3O2 and a molecular weight of 331.39 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-3-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]urea.

Molecular Properties

Compound Name1-(2-fluorophenyl)-3-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]urea
PubChem CID41013932
Molecular FormulaC18H22FN3O2
Molecular Weight331.39 g/mol
Exact Mass331.17
IUPAC Name1-(2-fluorophenyl)-3-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]urea
SMILESO=C(NC[C@@H](c1ccco1)N1CCCCC1)Nc1ccccc1F
InChIInChI=1S/C18H22FN3O2/c19-14-7-2-3-8-15(14)21-18(23)20-13-16(17-9-6-12-24-17)22-10-4-1-5-11-22/h2-3,6-9,12,16H,1,4-5,10-11,13H2,(H2,20,21,23)/t16-/m0/s1
InChIKeySXFOZTKIHIRWJG-INIZCTEOSA-N
XLogP3.77
TPSA57.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.39
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(azepan-1-yl)-2-(furan-2-yl)ethyl]-3-phenylurea
CID 112503366
2-fluoro-N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]benzamide
CID 26834331
1-(2,4-dichlorophenyl)-3-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]urea
CID 40952622
1-benzyl-3-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]urea
CID 24664373
1-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-[(1-hydroxycyclobutyl)methyl]urea
CID 71930287
N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2,2-diphenylacetamide;hydrochloride
CID 52984942
1-[(4-chlorophenyl)methyl]-3-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]urea
CID 36872492
N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]benzamide;hydrochloride
CID 52985069
1-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-(4-nitrophenyl)urea
CID 42912289
N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]cyclopropanecarboxamide
CID 7780302
1-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-(2-methylphenyl)thiourea
CID 8683285
N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-methylsulfanylbenzamide
CID 2456837

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-3-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]urea?
The IUPAC name of 1-(2-fluorophenyl)-3-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]urea (CID 41013932) is 1-(2-fluorophenyl)-3-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]urea.
What is the SMILES notation for 1-(2-fluorophenyl)-3-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]urea?
The canonical SMILES for 1-(2-fluorophenyl)-3-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]urea is O=C(NC[C@@H](c1ccco1)N1CCCCC1)Nc1ccccc1F.
What is the InChIKey of 1-(2-fluorophenyl)-3-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]urea?
The InChIKey is SXFOZTKIHIRWJG-INIZCTEOSA-N. The full InChI is InChI=1S/C18H22FN3O2/c19-14-7-2-3-8-15(14)21-18(23)20-13-16(17-9-6-12-24-17)22-10-4-1-5-11-22/h2-3,6-9,12,16H,1,4-5,10-11,13H2,(H2,20,21,23)/t16-/m0/s1.
What are the key properties of 1-(2-fluorophenyl)-3-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]urea?
1-(2-fluorophenyl)-3-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]urea has a molecular weight of 331.39 g/mol, XLogP of 3.77, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-3-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]urea is sourced from PubChem (CID 41013932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).