1-[(2R)-1-(2-fluorophenyl)propan-2-yl]-3-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]urea

C18H26FN3O2 — CID 95284220

IUPAC1-[(2R)-1-(2-fluorophenyl)propan-2-yl]-3-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]urea
SMILESC[C@H](Cc1ccccc1F)NC(=O)N[C@@H](C)C(=O)N1CCCCC1
InChIInChI=1S/C18H26FN3O2/c1-13(12-15-8-4-5-9-16(15)19)20-18(24)21-14(2)17(23)22-10-6-3-7-11-22/h4-5,8-9,13-14H,3,6-7,10-12H2,1-2H3,(H2,20,21,24)/t13-,14+/m1/s1
InChIKeyCDJXIJGFTMRCBT-KGLIPLIRSA-N
MW335.42 g/mol
LogP2.46
Rot. Bonds5

About 1-[(2R)-1-(2-fluorophenyl)propan-2-yl]-3-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]urea

1-[(2R)-1-(2-fluorophenyl)propan-2-yl]-3-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]urea (PubChem CID 95284220) has the molecular formula C18H26FN3O2 and a molecular weight of 335.42 g/mol. Its IUPAC name is 1-[(2R)-1-(2-fluorophenyl)propan-2-yl]-3-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]urea.

Molecular Properties

Compound Name1-[(2R)-1-(2-fluorophenyl)propan-2-yl]-3-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]urea
PubChem CID95284220
Molecular FormulaC18H26FN3O2
Molecular Weight335.42 g/mol
Exact Mass335.20
IUPAC Name1-[(2R)-1-(2-fluorophenyl)propan-2-yl]-3-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]urea
SMILESC[C@H](Cc1ccccc1F)NC(=O)N[C@@H](C)C(=O)N1CCCCC1
InChIInChI=1S/C18H26FN3O2/c1-13(12-15-8-4-5-9-16(15)19)20-18(24)21-14(2)17(23)22-10-6-3-7-11-22/h4-5,8-9,13-14H,3,6-7,10-12H2,1-2H3,(H2,20,21,24)/t13-,14+/m1/s1
InChIKeyCDJXIJGFTMRCBT-KGLIPLIRSA-N
XLogP2.46
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.42
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(2-fluorophenyl)propan-2-ylamino]-1-piperidin-1-ylpropan-1-one
CID 114829382
2-fluoro-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)benzamide
CID 61041045
3-(2-fluorophenyl)-2-methyl-N-[(1S)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl]propanamide
CID 110306138
1-(azepan-1-yl)-2-(2-fluoroanilino)propan-1-one
CID 43086908
N-[1-(2-fluorophenyl)propan-2-yl]acetamide
CID 91692173
2-bromo-6-fluoro-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)benzamide
CID 115678737
3-(2-fluorophenyl)-2-methyl-1-[3-(methylamino)piperidin-1-yl]propan-1-one
CID 119493132
2-[(2,3-difluorophenyl)methylamino]-1-pyrrolidin-1-ylpropan-1-one
CID 115618240
[4-[[1-(2-fluorophenyl)propan-2-ylamino]methyl]phenyl]-pyrrolidin-1-ylmethanone
CID 50973621
[4-[[[(2R)-1-(2-fluorophenyl)propan-2-yl]amino]methyl]phenyl]-pyrrolidin-1-ylmethanone
CID 95135521
3-(2-fluorophenyl)-2-methyl-1-[3-(methylamino)piperidin-1-yl]propan-1-one;hydrochloride
CID 119493131
3-(2-fluorophenyl)-2-methyl-1-[4-(3-pyrrolidin-1-ylpropanoyl)piperazin-1-yl]propan-1-one
CID 110617982

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-1-(2-fluorophenyl)propan-2-yl]-3-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]urea?
The IUPAC name of 1-[(2R)-1-(2-fluorophenyl)propan-2-yl]-3-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]urea (CID 95284220) is 1-[(2R)-1-(2-fluorophenyl)propan-2-yl]-3-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]urea.
What is the SMILES notation for 1-[(2R)-1-(2-fluorophenyl)propan-2-yl]-3-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]urea?
The canonical SMILES for 1-[(2R)-1-(2-fluorophenyl)propan-2-yl]-3-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]urea is C[C@H](Cc1ccccc1F)NC(=O)N[C@@H](C)C(=O)N1CCCCC1.
What is the InChIKey of 1-[(2R)-1-(2-fluorophenyl)propan-2-yl]-3-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]urea?
The InChIKey is CDJXIJGFTMRCBT-KGLIPLIRSA-N. The full InChI is InChI=1S/C18H26FN3O2/c1-13(12-15-8-4-5-9-16(15)19)20-18(24)21-14(2)17(23)22-10-6-3-7-11-22/h4-5,8-9,13-14H,3,6-7,10-12H2,1-2H3,(H2,20,21,24)/t13-,14+/m1/s1.
What are the key properties of 1-[(2R)-1-(2-fluorophenyl)propan-2-yl]-3-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]urea?
1-[(2R)-1-(2-fluorophenyl)propan-2-yl]-3-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]urea has a molecular weight of 335.42 g/mol, XLogP of 2.46, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-1-(2-fluorophenyl)propan-2-yl]-3-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]urea is sourced from PubChem (CID 95284220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).