1-(3,5-dichlorophenyl)-3-[(3R,4R)-4-hydroxypiperidin-3-yl]urea

C12H15Cl2N3O2 — CID 118767524

IUPAC1-(3,5-dichlorophenyl)-3-[(3R,4R)-4-hydroxypiperidin-3-yl]urea
SMILESO=C(Nc1cc(Cl)cc(Cl)c1)N[C@@H]1CNCC[C@H]1O
InChIInChI=1S/C12H15Cl2N3O2/c13-7-3-8(14)5-9(4-7)16-12(19)17-10-6-15-2-1-11(10)18/h3-5,10-11,15,18H,1-2,6H2,(H2,16,17,19)/t10-,11-/m1/s1
InChIKeyASXVFZRJMKGCKQ-GHMZBOCLSA-N
MW304.18 g/mol
LogP1.84
Rot. Bonds2

About 1-(3,5-dichlorophenyl)-3-[(3R,4R)-4-hydroxypiperidin-3-yl]urea

1-(3,5-dichlorophenyl)-3-[(3R,4R)-4-hydroxypiperidin-3-yl]urea (PubChem CID 118767524) has the molecular formula C12H15Cl2N3O2 and a molecular weight of 304.18 g/mol. Its IUPAC name is 1-(3,5-dichlorophenyl)-3-[(3R,4R)-4-hydroxypiperidin-3-yl]urea.

Molecular Properties

Compound Name1-(3,5-dichlorophenyl)-3-[(3R,4R)-4-hydroxypiperidin-3-yl]urea
PubChem CID118767524
Molecular FormulaC12H15Cl2N3O2
Molecular Weight304.18 g/mol
Exact Mass303.05
IUPAC Name1-(3,5-dichlorophenyl)-3-[(3R,4R)-4-hydroxypiperidin-3-yl]urea
SMILESO=C(Nc1cc(Cl)cc(Cl)c1)N[C@@H]1CNCC[C@H]1O
InChIInChI=1S/C12H15Cl2N3O2/c13-7-3-8(14)5-9(4-7)16-12(19)17-10-6-15-2-1-11(10)18/h3-5,10-11,15,18H,1-2,6H2,(H2,16,17,19)/t10-,11-/m1/s1
InChIKeyASXVFZRJMKGCKQ-GHMZBOCLSA-N
XLogP1.84
TPSA73.39 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.18
LogP ≤ 51.84
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chloro-4-fluorophenyl)-3-[(3S,4R)-4-hydroxypiperidin-3-yl]urea;hydrochloride
CID 154905367
1-(3-fluoro-4-methylphenyl)-3-[(3R,4R)-4-hydroxypiperidin-3-yl]urea;hydrochloride
CID 154903223
1-(2-aminocyclopentyl)-3-(3,5-dichlorophenyl)urea
CID 107654072
2-[(3,5-dichlorophenyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 64818045
N-[3-[[(3R,4R)-4-hydroxypiperidin-3-yl]carbamoylamino]phenyl]-N-methylacetamide
CID 118791285
N-(3-chloro-5-fluorophenyl)pyrrolidine-3-carboxamide
CID 107365750
1-(3-chlorophenyl)-3-(2-hydroxycyclohexyl)urea
CID 3449806
1-(4-chlorophenyl)-3-[(3S,4S)-4-(2,6-difluoro-4-methoxyphenyl)piperidin-3-yl]urea
CID 134347569
1-(4-chlorophenyl)-3-[4-(4-methoxyphenyl)piperidin-3-yl]urea
CID 134347434
1-(4-chlorophenyl)-3-[(1R,2R)-2-hydroxycyclopentyl]urea
CID 40546318
1-(4-chlorophenyl)-3-piperidin-4-ylurea;hydrochloride
CID 53255615
1-(3,5-dibromophenyl)-3-(3,5-dichlorophenyl)urea
CID 175721758

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dichlorophenyl)-3-[(3R,4R)-4-hydroxypiperidin-3-yl]urea?
The IUPAC name of 1-(3,5-dichlorophenyl)-3-[(3R,4R)-4-hydroxypiperidin-3-yl]urea (CID 118767524) is 1-(3,5-dichlorophenyl)-3-[(3R,4R)-4-hydroxypiperidin-3-yl]urea.
What is the SMILES notation for 1-(3,5-dichlorophenyl)-3-[(3R,4R)-4-hydroxypiperidin-3-yl]urea?
The canonical SMILES for 1-(3,5-dichlorophenyl)-3-[(3R,4R)-4-hydroxypiperidin-3-yl]urea is O=C(Nc1cc(Cl)cc(Cl)c1)N[C@@H]1CNCC[C@H]1O.
What is the InChIKey of 1-(3,5-dichlorophenyl)-3-[(3R,4R)-4-hydroxypiperidin-3-yl]urea?
The InChIKey is ASXVFZRJMKGCKQ-GHMZBOCLSA-N. The full InChI is InChI=1S/C12H15Cl2N3O2/c13-7-3-8(14)5-9(4-7)16-12(19)17-10-6-15-2-1-11(10)18/h3-5,10-11,15,18H,1-2,6H2,(H2,16,17,19)/t10-,11-/m1/s1.
What are the key properties of 1-(3,5-dichlorophenyl)-3-[(3R,4R)-4-hydroxypiperidin-3-yl]urea?
1-(3,5-dichlorophenyl)-3-[(3R,4R)-4-hydroxypiperidin-3-yl]urea has a molecular weight of 304.18 g/mol, XLogP of 1.84, 2 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dichlorophenyl)-3-[(3R,4R)-4-hydroxypiperidin-3-yl]urea is sourced from PubChem (CID 118767524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).