[(3R)-1-[2,3-difluoro-4-[(3R)-3-fluoropyrrolidin-1-yl]phenyl]-2-oxopiperidin-3-yl]urea

C16H19F3N4O2 — CID 142493505

IUPAC[(3R)-1-[2,3-difluoro-4-[(3R)-3-fluoropyrrolidin-1-yl]phenyl]-2-oxopiperidin-3-yl]urea
SMILESNC(=O)N[C@@H]1CCCN(c2ccc(N3CC[C@@H](F)C3)c(F)c2F)C1=O
InChIInChI=1S/C16H19F3N4O2/c17-9-5-7-22(8-9)11-3-4-12(14(19)13(11)18)23-6-1-2-10(15(23)24)21-16(20)25/h3-4,9-10H,1-2,5-8H2,(H3,20,21,25)/t9-,10-/m1/s1
InChIKeyLHPUDMLYUZYUIQ-NXEZZACHSA-N
MW356.35 g/mol
LogP1.68
Rot. Bonds3

About [(3R)-1-[2,3-difluoro-4-[(3R)-3-fluoropyrrolidin-1-yl]phenyl]-2-oxopiperidin-3-yl]urea

[(3R)-1-[2,3-difluoro-4-[(3R)-3-fluoropyrrolidin-1-yl]phenyl]-2-oxopiperidin-3-yl]urea (PubChem CID 142493505) has the molecular formula C16H19F3N4O2 and a molecular weight of 356.35 g/mol. Its IUPAC name is [(3R)-1-[2,3-difluoro-4-[(3R)-3-fluoropyrrolidin-1-yl]phenyl]-2-oxopiperidin-3-yl]urea.

Molecular Properties

Compound Name[(3R)-1-[2,3-difluoro-4-[(3R)-3-fluoropyrrolidin-1-yl]phenyl]-2-oxopiperidin-3-yl]urea
PubChem CID142493505
Molecular FormulaC16H19F3N4O2
Molecular Weight356.35 g/mol
Exact Mass356.15
IUPAC Name[(3R)-1-[2,3-difluoro-4-[(3R)-3-fluoropyrrolidin-1-yl]phenyl]-2-oxopiperidin-3-yl]urea
SMILESNC(=O)N[C@@H]1CCCN(c2ccc(N3CC[C@@H](F)C3)c(F)c2F)C1=O
InChIInChI=1S/C16H19F3N4O2/c17-9-5-7-22(8-9)11-3-4-12(14(19)13(11)18)23-6-1-2-10(15(23)24)21-16(20)25/h3-4,9-10H,1-2,5-8H2,(H3,20,21,25)/t9-,10-/m1/s1
InChIKeyLHPUDMLYUZYUIQ-NXEZZACHSA-N
XLogP1.68
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.35
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [(3R)-1-[2,3-difluoro-4-[(3R)-3-fluoropyrrolidin-1-yl]phenyl]-2-oxopiperidin-3-yl]urea with MolForge

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Related Compounds

[(3R)-1-[4-[3-(dimethylamino)pyrrolidin-1-yl]-2,3-difluorophenyl]-2-oxopiperidin-3-yl]urea
CID 142493475
[(3R)-1-[2,3-difluoro-4-[3-[methyl(2,2,2-trifluoroethyl)amino]pyrrolidin-1-yl]phenyl]-2-oxopiperidin-3-yl]urea;molecular hydrogen
CID 142493470
[1-(4-bromo-2,3-difluorophenyl)-2-oxopiperidin-3-yl]carbamic acid
CID 155415178
[(3R)-1-[4-(3,3-difluoropiperidin-1-yl)phenyl]-2-oxopiperidin-3-yl]urea;molecular hydrogen
CID 142493531
1-(4-amino-2-fluorophenyl)piperidine-3-carboxamide
CID 43123574
ethyl 1-(2,3,4-trifluorophenyl)piperidine-3-carboxylate
CID 82537647
3-fluoro-4-(3-fluoropyrrolidin-1-yl)benzoic acid
CID 123634729
1-[(3R)-1-[4-[3-(dimethylamino)pyrrolidin-1-yl]-2-fluorophenyl]-2-oxopiperidin-3-yl]-3-(2-fluorophenyl)urea
CID 154971473
N-[1-(2,4-difluorophenyl)-2-oxopiperidin-3-yl]-1,4,5-oxadiazepane-4-carboxamide
CID 155958205
1-amino-N-[1-(2-chlorophenyl)-2-oxopiperidin-3-yl]cyclohexane-1-carboxamide
CID 119334574
2-[2-[[1-(2-fluorophenyl)-2-oxopiperidin-3-yl]amino]-2-oxoethyl]benzoic acid
CID 120551295
1-(4-chloro-2-fluorophenyl)-3-[(3R)-1-[2,3-difluoro-4-[2-(methylsulfonimidoyl)phenyl]phenyl]-2-oxopiperidin-3-yl]urea
CID 142493606

Frequently Asked Questions

What is the IUPAC name of [(3R)-1-[2,3-difluoro-4-[(3R)-3-fluoropyrrolidin-1-yl]phenyl]-2-oxopiperidin-3-yl]urea?
The IUPAC name of [(3R)-1-[2,3-difluoro-4-[(3R)-3-fluoropyrrolidin-1-yl]phenyl]-2-oxopiperidin-3-yl]urea (CID 142493505) is [(3R)-1-[2,3-difluoro-4-[(3R)-3-fluoropyrrolidin-1-yl]phenyl]-2-oxopiperidin-3-yl]urea.
What is the SMILES notation for [(3R)-1-[2,3-difluoro-4-[(3R)-3-fluoropyrrolidin-1-yl]phenyl]-2-oxopiperidin-3-yl]urea?
The canonical SMILES for [(3R)-1-[2,3-difluoro-4-[(3R)-3-fluoropyrrolidin-1-yl]phenyl]-2-oxopiperidin-3-yl]urea is NC(=O)N[C@@H]1CCCN(c2ccc(N3CC[C@@H](F)C3)c(F)c2F)C1=O.
What is the InChIKey of [(3R)-1-[2,3-difluoro-4-[(3R)-3-fluoropyrrolidin-1-yl]phenyl]-2-oxopiperidin-3-yl]urea?
The InChIKey is LHPUDMLYUZYUIQ-NXEZZACHSA-N. The full InChI is InChI=1S/C16H19F3N4O2/c17-9-5-7-22(8-9)11-3-4-12(14(19)13(11)18)23-6-1-2-10(15(23)24)21-16(20)25/h3-4,9-10H,1-2,5-8H2,(H3,20,21,25)/t9-,10-/m1/s1.
What are the key properties of [(3R)-1-[2,3-difluoro-4-[(3R)-3-fluoropyrrolidin-1-yl]phenyl]-2-oxopiperidin-3-yl]urea?
[(3R)-1-[2,3-difluoro-4-[(3R)-3-fluoropyrrolidin-1-yl]phenyl]-2-oxopiperidin-3-yl]urea has a molecular weight of 356.35 g/mol, XLogP of 1.68, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-1-[2,3-difluoro-4-[(3R)-3-fluoropyrrolidin-1-yl]phenyl]-2-oxopiperidin-3-yl]urea is sourced from PubChem (CID 142493505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).