1-(3-fluorophenyl)-3-[[(3S)-piperidin-3-yl]methyl]urea

C13H18FN3O — CID 51892143

IUPAC1-(3-fluorophenyl)-3-[[(3S)-piperidin-3-yl]methyl]urea
SMILESO=C(NC[C@H]1CCCNC1)Nc1cccc(F)c1
InChIInChI=1S/C13H18FN3O/c14-11-4-1-5-12(7-11)17-13(18)16-9-10-3-2-6-15-8-10/h1,4-5,7,10,15H,2-3,6,8-9H2,(H2,16,17,18)/t10-/m0/s1
InChIKeyNRJBUWGDABYNSR-JTQLQIEISA-N
MW251.30 g/mol
LogP1.95
Rot. Bonds3

About 1-(3-fluorophenyl)-3-[[(3S)-piperidin-3-yl]methyl]urea

1-(3-fluorophenyl)-3-[[(3S)-piperidin-3-yl]methyl]urea (PubChem CID 51892143) has the molecular formula C13H18FN3O and a molecular weight of 251.30 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-3-[[(3S)-piperidin-3-yl]methyl]urea.

Molecular Properties

Compound Name1-(3-fluorophenyl)-3-[[(3S)-piperidin-3-yl]methyl]urea
PubChem CID51892143
Molecular FormulaC13H18FN3O
Molecular Weight251.30 g/mol
Exact Mass251.14
IUPAC Name1-(3-fluorophenyl)-3-[[(3S)-piperidin-3-yl]methyl]urea
SMILESO=C(NC[C@H]1CCCNC1)Nc1cccc(F)c1
InChIInChI=1S/C13H18FN3O/c14-11-4-1-5-12(7-11)17-13(18)16-9-10-3-2-6-15-8-10/h1,4-5,7,10,15H,2-3,6,8-9H2,(H2,16,17,18)/t10-/m0/s1
InChIKeyNRJBUWGDABYNSR-JTQLQIEISA-N
XLogP1.95
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.30
LogP ≤ 51.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 43835568
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CID 79020017
1-(2,6-difluorophenyl)-3-(piperidin-3-ylmethyl)urea;hydrochloride
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1-(3-fluorophenyl)-3-[(4-methylpiperidin-3-yl)methyl]urea
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CID 119460284
2-(3-fluorophenyl)-N-[2-oxo-2-(piperidin-3-ylmethylamino)ethyl]acetamide
CID 119461967
1-[(3-ethylpiperidin-2-yl)methyl]-3-(3-fluorophenyl)urea
CID 82734312
4-(3-fluorophenyl)-3-methyl-N-(piperidin-3-ylmethyl)butanamide
CID 119464064
1-(3-fluorophenyl)-3-[[(3S)-1-methylsulfonylpiperidin-3-yl]methyl]urea
CID 95154909
3-(3-fluorophenyl)-N-(piperidin-3-ylmethyl)butanamide
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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-3-[[(3S)-piperidin-3-yl]methyl]urea?
The IUPAC name of 1-(3-fluorophenyl)-3-[[(3S)-piperidin-3-yl]methyl]urea (CID 51892143) is 1-(3-fluorophenyl)-3-[[(3S)-piperidin-3-yl]methyl]urea.
What is the SMILES notation for 1-(3-fluorophenyl)-3-[[(3S)-piperidin-3-yl]methyl]urea?
The canonical SMILES for 1-(3-fluorophenyl)-3-[[(3S)-piperidin-3-yl]methyl]urea is O=C(NC[C@H]1CCCNC1)Nc1cccc(F)c1.
What is the InChIKey of 1-(3-fluorophenyl)-3-[[(3S)-piperidin-3-yl]methyl]urea?
The InChIKey is NRJBUWGDABYNSR-JTQLQIEISA-N. The full InChI is InChI=1S/C13H18FN3O/c14-11-4-1-5-12(7-11)17-13(18)16-9-10-3-2-6-15-8-10/h1,4-5,7,10,15H,2-3,6,8-9H2,(H2,16,17,18)/t10-/m0/s1.
What are the key properties of 1-(3-fluorophenyl)-3-[[(3S)-piperidin-3-yl]methyl]urea?
1-(3-fluorophenyl)-3-[[(3S)-piperidin-3-yl]methyl]urea has a molecular weight of 251.30 g/mol, XLogP of 1.95, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-3-[[(3S)-piperidin-3-yl]methyl]urea is sourced from PubChem (CID 51892143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).