1-(5-chloro-2-piperidin-1-ylphenyl)-3-(4-hydroxy-2-methylbutan-2-yl)urea

C17H26ClN3O2 — CID 111925885

IUPAC1-(5-chloro-2-piperidin-1-ylphenyl)-3-(4-hydroxy-2-methylbutan-2-yl)urea
SMILESCC(C)(CCO)NC(=O)Nc1cc(Cl)ccc1N1CCCCC1
InChIInChI=1S/C17H26ClN3O2/c1-17(2,8-11-22)20-16(23)19-14-12-13(18)6-7-15(14)21-9-4-3-5-10-21/h6-7,12,22H,3-5,8-11H2,1-2H3,(H2,19,20,23)
InChIKeyCRNIHAAASPEFBD-UHFFFAOYSA-N
MW339.87 g/mol
LogP3.61
Rot. Bonds5

About 1-(5-chloro-2-piperidin-1-ylphenyl)-3-(4-hydroxy-2-methylbutan-2-yl)urea

1-(5-chloro-2-piperidin-1-ylphenyl)-3-(4-hydroxy-2-methylbutan-2-yl)urea (PubChem CID 111925885) has the molecular formula C17H26ClN3O2 and a molecular weight of 339.87 g/mol. Its IUPAC name is 1-(5-chloro-2-piperidin-1-ylphenyl)-3-(4-hydroxy-2-methylbutan-2-yl)urea.

Molecular Properties

Compound Name1-(5-chloro-2-piperidin-1-ylphenyl)-3-(4-hydroxy-2-methylbutan-2-yl)urea
PubChem CID111925885
Molecular FormulaC17H26ClN3O2
Molecular Weight339.87 g/mol
Exact Mass339.17
IUPAC Name1-(5-chloro-2-piperidin-1-ylphenyl)-3-(4-hydroxy-2-methylbutan-2-yl)urea
SMILESCC(C)(CCO)NC(=O)Nc1cc(Cl)ccc1N1CCCCC1
InChIInChI=1S/C17H26ClN3O2/c1-17(2,8-11-22)20-16(23)19-14-12-13(18)6-7-15(14)21-9-4-3-5-10-21/h6-7,12,22H,3-5,8-11H2,1-2H3,(H2,19,20,23)
InChIKeyCRNIHAAASPEFBD-UHFFFAOYSA-N
XLogP3.61
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.87
LogP ≤ 53.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-hydroxy-2-methylbutan-2-yl)-3-(2-piperidin-1-ylphenyl)urea
CID 111754335
1-(3-chloro-4-pyrrolidin-1-ylphenyl)-3-(4-hydroxy-2-methylbutan-2-yl)urea
CID 111754895
1-(5-chloro-2-piperidin-1-ylphenyl)-3-propylurea
CID 47103290
N-(5-chloro-2-pyrrolidin-1-ylphenyl)-2-methoxyacetamide
CID 47108337
1-(5-chloro-2-piperidin-1-ylphenyl)-3-(1-propan-2-ylpiperidin-4-yl)urea
CID 112824885
4-amino-N-(5-chloro-2-piperidin-1-ylphenyl)butanamide
CID 119829370
(1S)-2,2-dichloro-N-(5-chloro-2-piperidin-1-ylphenyl)-1-methylcyclopropane-1-carboxamide
CID 26209054
1-[5-chloro-2-(4-ethylpiperazin-1-yl)phenyl]-3-(2-hydroxyethyl)urea
CID 110894304
1-(5-chloro-2-piperidin-1-ylphenyl)-3-[3-(3,5-dimethylpyrazol-1-yl)propyl]urea
CID 112824886
N-(5-chloro-2-piperidin-1-ylphenyl)-2-(2-phenylphenoxy)acetamide
CID 7922570
N-(5-chloro-2-pyrrolidin-1-ylphenyl)-2-phenylacetamide
CID 7406867
N-(5-chloro-2-piperidin-1-ylphenyl)pyridine-4-carboxamide
CID 23149647

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-piperidin-1-ylphenyl)-3-(4-hydroxy-2-methylbutan-2-yl)urea?
The IUPAC name of 1-(5-chloro-2-piperidin-1-ylphenyl)-3-(4-hydroxy-2-methylbutan-2-yl)urea (CID 111925885) is 1-(5-chloro-2-piperidin-1-ylphenyl)-3-(4-hydroxy-2-methylbutan-2-yl)urea.
What is the SMILES notation for 1-(5-chloro-2-piperidin-1-ylphenyl)-3-(4-hydroxy-2-methylbutan-2-yl)urea?
The canonical SMILES for 1-(5-chloro-2-piperidin-1-ylphenyl)-3-(4-hydroxy-2-methylbutan-2-yl)urea is CC(C)(CCO)NC(=O)Nc1cc(Cl)ccc1N1CCCCC1.
What is the InChIKey of 1-(5-chloro-2-piperidin-1-ylphenyl)-3-(4-hydroxy-2-methylbutan-2-yl)urea?
The InChIKey is CRNIHAAASPEFBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26ClN3O2/c1-17(2,8-11-22)20-16(23)19-14-12-13(18)6-7-15(14)21-9-4-3-5-10-21/h6-7,12,22H,3-5,8-11H2,1-2H3,(H2,19,20,23).
What are the key properties of 1-(5-chloro-2-piperidin-1-ylphenyl)-3-(4-hydroxy-2-methylbutan-2-yl)urea?
1-(5-chloro-2-piperidin-1-ylphenyl)-3-(4-hydroxy-2-methylbutan-2-yl)urea has a molecular weight of 339.87 g/mol, XLogP of 3.61, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-piperidin-1-ylphenyl)-3-(4-hydroxy-2-methylbutan-2-yl)urea is sourced from PubChem (CID 111925885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).