propan-2-yl 4-[[6-[4-(2-hydroxyethylcarbamoyl)phenyl]-3-pyridinyl]oxymethyl]piperidine-1-carboxylate

C24H31N3O5 — CID 24996555

IUPACpropan-2-yl 4-[[6-[4-(2-hydroxyethylcarbamoyl)phenyl]-3-pyridinyl]oxymethyl]piperidine-1-carboxylate
SMILESCC(C)OC(=O)N1CCC(COc2ccc(-c3ccc(C(=O)NCCO)cc3)nc2)CC1
InChIInChI=1S/C24H31N3O5/c1-17(2)32-24(30)27-12-9-18(10-13-27)16-31-21-7-8-22(26-15-21)19-3-5-20(6-4-19)23(29)25-11-14-28/h3-8,15,17-18,28H,9-14,16H2,1-2H3,(H,25,29)
InChIKeyJIIRZKKQPBVUOP-UHFFFAOYSA-N
MW441.53 g/mol
LogP3.11
Rot. Bonds8

About propan-2-yl 4-[[6-[4-(2-hydroxyethylcarbamoyl)phenyl]-3-pyridinyl]oxymethyl]piperidine-1-carboxylate

propan-2-yl 4-[[6-[4-(2-hydroxyethylcarbamoyl)phenyl]-3-pyridinyl]oxymethyl]piperidine-1-carboxylate (PubChem CID 24996555) has the molecular formula C24H31N3O5 and a molecular weight of 441.53 g/mol. Its IUPAC name is propan-2-yl 4-[[6-[4-(2-hydroxyethylcarbamoyl)phenyl]-3-pyridinyl]oxymethyl]piperidine-1-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 4-[[6-[4-(2-hydroxyethylcarbamoyl)phenyl]-3-pyridinyl]oxymethyl]piperidine-1-carboxylate
PubChem CID24996555
Molecular FormulaC24H31N3O5
Molecular Weight441.53 g/mol
Exact Mass441.23
IUPAC Namepropan-2-yl 4-[[6-[4-(2-hydroxyethylcarbamoyl)phenyl]-3-pyridinyl]oxymethyl]piperidine-1-carboxylate
SMILESCC(C)OC(=O)N1CCC(COc2ccc(-c3ccc(C(=O)NCCO)cc3)nc2)CC1
InChIInChI=1S/C24H31N3O5/c1-17(2)32-24(30)27-12-9-18(10-13-27)16-31-21-7-8-22(26-15-21)19-3-5-20(6-4-19)23(29)25-11-14-28/h3-8,15,17-18,28H,9-14,16H2,1-2H3,(H,25,29)
InChIKeyJIIRZKKQPBVUOP-UHFFFAOYSA-N
XLogP3.11
TPSA100.99 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.53
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

propan-2-yl 4-[[6-[4-(2-hydroxyethylsulfamoyl)phenyl]-3-pyridinyl]oxymethyl]piperidine-1-carboxylate
CID 24992753
CID 163623911
CID 163623911
propan-2-yl 4-[[4-[4-(butylcarbamoyl)phenyl]phenoxy]methyl]piperidine-1-carboxylate;propan-2-yl 4-[[4-[4-(cyclopropylcarbamoyl)phenyl]phenoxy]methyl]piperidine-1-carboxylate
CID 161310144
propan-2-yl 4-[[4-[4-(1,2,4-triazol-4-ylcarbamoyl)phenyl]phenoxy]methyl]piperidine-1-carboxylate
CID 59177766
propan-2-yl 4-[[6-(4-propan-2-ylsulfonylphenyl)-3-pyridinyl]oxymethyl]piperidine-1-carboxylate;2,2,2-trifluoroacetic acid
CID 66672619
CID 143689729
CID 143689729
propan-2-yl 4-[[6-[4-(2-amino-3-oxo-3-pyrrolidin-1-ylpropyl)-3-fluorophenyl]-3-pyridinyl]oxymethyl]piperidine-1-carboxylate
CID 66822079
propan-2-yl 4-[[6-[2-fluoro-4-(2-methoxyethylamino)sulfanylphenyl]-3-pyridinyl]oxymethyl]piperidine-1-carboxylate
CID 143689769
propan-2-yl 4-[[6-(2-fluoro-4-methylsulfinylphenyl)-3-pyridinyl]oxymethyl]piperidine-1-carboxylate
CID 59177814
propan-2-yl 4-[[5-(4-methylsulfonylphenyl)pyrazin-2-yl]oxymethyl]piperidine-1-carboxylate
CID 24993713
propan-2-yl 4-[(1S)-1-[[6-(4-methylsulfonylphenyl)-3-pyridinyl]oxy]ethyl]piperidine-1-carboxylate
CID 59177825
propan-2-yl 4-[[6-[4-[ethylidene-(2-methoxyethylamino)-λ4-sulfanyl]-2-fluorophenyl]-3-pyridinyl]oxymethyl]piperidine-1-carboxylate
CID 149425104

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 4-[[6-[4-(2-hydroxyethylcarbamoyl)phenyl]-3-pyridinyl]oxymethyl]piperidine-1-carboxylate?
The IUPAC name of propan-2-yl 4-[[6-[4-(2-hydroxyethylcarbamoyl)phenyl]-3-pyridinyl]oxymethyl]piperidine-1-carboxylate (CID 24996555) is propan-2-yl 4-[[6-[4-(2-hydroxyethylcarbamoyl)phenyl]-3-pyridinyl]oxymethyl]piperidine-1-carboxylate.
What is the SMILES notation for propan-2-yl 4-[[6-[4-(2-hydroxyethylcarbamoyl)phenyl]-3-pyridinyl]oxymethyl]piperidine-1-carboxylate?
The canonical SMILES for propan-2-yl 4-[[6-[4-(2-hydroxyethylcarbamoyl)phenyl]-3-pyridinyl]oxymethyl]piperidine-1-carboxylate is CC(C)OC(=O)N1CCC(COc2ccc(-c3ccc(C(=O)NCCO)cc3)nc2)CC1.
What is the InChIKey of propan-2-yl 4-[[6-[4-(2-hydroxyethylcarbamoyl)phenyl]-3-pyridinyl]oxymethyl]piperidine-1-carboxylate?
The InChIKey is JIIRZKKQPBVUOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O5/c1-17(2)32-24(30)27-12-9-18(10-13-27)16-31-21-7-8-22(26-15-21)19-3-5-20(6-4-19)23(29)25-11-14-28/h3-8,15,17-18,28H,9-14,16H2,1-2H3,(H,25,29).
What are the key properties of propan-2-yl 4-[[6-[4-(2-hydroxyethylcarbamoyl)phenyl]-3-pyridinyl]oxymethyl]piperidine-1-carboxylate?
propan-2-yl 4-[[6-[4-(2-hydroxyethylcarbamoyl)phenyl]-3-pyridinyl]oxymethyl]piperidine-1-carboxylate has a molecular weight of 441.53 g/mol, XLogP of 3.11, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 4-[[6-[4-(2-hydroxyethylcarbamoyl)phenyl]-3-pyridinyl]oxymethyl]piperidine-1-carboxylate is sourced from PubChem (CID 24996555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).