1-(2,4-dichlorophenyl)-3-[(2R)-2-hydroxy-3-piperidin-1-ylpropyl]urea

C15H21Cl2N3O2 — CID 51944280

IUPAC1-(2,4-dichlorophenyl)-3-[(2R)-2-hydroxy-3-piperidin-1-ylpropyl]urea
SMILESO=C(NC[C@@H](O)CN1CCCCC1)Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C15H21Cl2N3O2/c16-11-4-5-14(13(17)8-11)19-15(22)18-9-12(21)10-20-6-2-1-3-7-20/h4-5,8,12,21H,1-3,6-7,9-10H2,(H2,18,19,22)/t12-/m1/s1
InChIKeyMLGORHJFTYYGSE-GFCCVEGCSA-N
MW346.26 g/mol
LogP2.96
Rot. Bonds5

About 1-(2,4-dichlorophenyl)-3-[(2R)-2-hydroxy-3-piperidin-1-ylpropyl]urea

1-(2,4-dichlorophenyl)-3-[(2R)-2-hydroxy-3-piperidin-1-ylpropyl]urea (PubChem CID 51944280) has the molecular formula C15H21Cl2N3O2 and a molecular weight of 346.26 g/mol. Its IUPAC name is 1-(2,4-dichlorophenyl)-3-[(2R)-2-hydroxy-3-piperidin-1-ylpropyl]urea.

Molecular Properties

Compound Name1-(2,4-dichlorophenyl)-3-[(2R)-2-hydroxy-3-piperidin-1-ylpropyl]urea
PubChem CID51944280
Molecular FormulaC15H21Cl2N3O2
Molecular Weight346.26 g/mol
Exact Mass345.10
IUPAC Name1-(2,4-dichlorophenyl)-3-[(2R)-2-hydroxy-3-piperidin-1-ylpropyl]urea
SMILESO=C(NC[C@@H](O)CN1CCCCC1)Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C15H21Cl2N3O2/c16-11-4-5-14(13(17)8-11)19-15(22)18-9-12(21)10-20-6-2-1-3-7-20/h4-5,8,12,21H,1-3,6-7,9-10H2,(H2,18,19,22)/t12-/m1/s1
InChIKeyMLGORHJFTYYGSE-GFCCVEGCSA-N
XLogP2.96
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.26
LogP ≤ 52.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,5-dichlorophenyl)-3-(2-hydroxy-3-pyrrolidin-1-ylpropyl)urea
CID 110923525
1-(3,4-dichlorophenyl)-3-(2-hydroxy-3-pyrrolidin-1-ylpropyl)urea
CID 110923508
1-(2,4-dichlorophenyl)-3-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]urea
CID 40952622
N-[3-[[(2R)-2-hydroxy-3-pyrrolidin-1-ylpropyl]carbamoylamino]-4-methylphenyl]propanamide
CID 125176210
N-[3-[(2-hydroxy-3-pyrrolidin-1-ylpropyl)carbamoylamino]-4-methylphenyl]propanamide
CID 118796036
1-[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]-3-(2,4-dichlorophenyl)urea
CID 51944288
1-(4-chlorophenyl)-3-[2-hydroxy-3-(4-propylpiperazin-1-yl)propyl]urea
CID 44527624
1-(2,4-dichlorophenyl)-3-[2-(4-fluorophenyl)-2-hydroxyethyl]urea
CID 75876358
1-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-3-(2,3,4-trifluorophenyl)urea
CID 111111295
1-(2,4-dichlorophenyl)-3-(2,2-diethoxyethyl)urea
CID 3301738
2-[[(2,4-dichlorophenyl)carbamoylamino]methyl]butanoic acid
CID 65219369
1-[(2R)-2-hydroxy-3-piperidin-1-ylpropyl]-3-(2-pyrazol-1-yl-3-pyridinyl)urea
CID 94169729

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichlorophenyl)-3-[(2R)-2-hydroxy-3-piperidin-1-ylpropyl]urea?
The IUPAC name of 1-(2,4-dichlorophenyl)-3-[(2R)-2-hydroxy-3-piperidin-1-ylpropyl]urea (CID 51944280) is 1-(2,4-dichlorophenyl)-3-[(2R)-2-hydroxy-3-piperidin-1-ylpropyl]urea.
What is the SMILES notation for 1-(2,4-dichlorophenyl)-3-[(2R)-2-hydroxy-3-piperidin-1-ylpropyl]urea?
The canonical SMILES for 1-(2,4-dichlorophenyl)-3-[(2R)-2-hydroxy-3-piperidin-1-ylpropyl]urea is O=C(NC[C@@H](O)CN1CCCCC1)Nc1ccc(Cl)cc1Cl.
What is the InChIKey of 1-(2,4-dichlorophenyl)-3-[(2R)-2-hydroxy-3-piperidin-1-ylpropyl]urea?
The InChIKey is MLGORHJFTYYGSE-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H21Cl2N3O2/c16-11-4-5-14(13(17)8-11)19-15(22)18-9-12(21)10-20-6-2-1-3-7-20/h4-5,8,12,21H,1-3,6-7,9-10H2,(H2,18,19,22)/t12-/m1/s1.
What are the key properties of 1-(2,4-dichlorophenyl)-3-[(2R)-2-hydroxy-3-piperidin-1-ylpropyl]urea?
1-(2,4-dichlorophenyl)-3-[(2R)-2-hydroxy-3-piperidin-1-ylpropyl]urea has a molecular weight of 346.26 g/mol, XLogP of 2.96, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichlorophenyl)-3-[(2R)-2-hydroxy-3-piperidin-1-ylpropyl]urea is sourced from PubChem (CID 51944280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).