phenyl 4-(2-oxopropoxy)piperidine-1-carboxylate

C15H19NO4 — CID 89146038

IUPACphenyl 4-(2-oxopropoxy)piperidine-1-carboxylate
SMILESCC(=O)COC1CCN(C(=O)Oc2ccccc2)CC1
InChIInChI=1S/C15H19NO4/c1-12(17)11-19-13-7-9-16(10-8-13)15(18)20-14-5-3-2-4-6-14/h2-6,13H,7-11H2,1H3
InChIKeyQIUXHEHJAVIDEE-UHFFFAOYSA-N
MW277.32 g/mol
LogP2.26
Rot. Bonds4

About phenyl 4-(2-oxopropoxy)piperidine-1-carboxylate

phenyl 4-(2-oxopropoxy)piperidine-1-carboxylate (PubChem CID 89146038) has the molecular formula C15H19NO4 and a molecular weight of 277.32 g/mol. Its IUPAC name is phenyl 4-(2-oxopropoxy)piperidine-1-carboxylate.

Molecular Properties

Compound Namephenyl 4-(2-oxopropoxy)piperidine-1-carboxylate
PubChem CID89146038
Molecular FormulaC15H19NO4
Molecular Weight277.32 g/mol
Exact Mass277.13
IUPAC Namephenyl 4-(2-oxopropoxy)piperidine-1-carboxylate
SMILESCC(=O)COC1CCN(C(=O)Oc2ccccc2)CC1
InChIInChI=1S/C15H19NO4/c1-12(17)11-19-13-7-9-16(10-8-13)15(18)20-14-5-3-2-4-6-14/h2-6,13H,7-11H2,1H3
InChIKeyQIUXHEHJAVIDEE-UHFFFAOYSA-N
XLogP2.26
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

phenyl 4-phenoxypiperidine-1-carboxylate
CID 110396730
phenyl 4-(3-aminopropoxy)piperidine-1-carboxylate
CID 79736999
phenyl 4-(4-methylphenoxy)piperidine-1-carboxylate
CID 110397090
phenyl 4-propylpiperidine-1-carboxylate
CID 64591892
phenyl 4-(methoxymethyl)piperidine-1-carboxylate
CID 63999252
4-O-ethyl 1-O-phenyl piperidine-1,4-dicarboxylate
CID 3851418
phenyl 4-cyanopiperidine-1-carboxylate
CID 62077915
1-[4-(2-phenoxyethoxy)piperidin-1-yl]ethanone
CID 91918409
phenyl 4-(ethylcarbamoyl)piperidine-1-carboxylate
CID 60746156
phenyl 3-(methoxymethyl)pyrrolidine-1-carboxylate
CID 64591522
phenyl 4-(4-methoxybenzoyl)piperidine-1-carboxylate
CID 110394064
phenyl 4-propanoylpiperazine-1-carboxylate
CID 46228295

Frequently Asked Questions

What is the IUPAC name of phenyl 4-(2-oxopropoxy)piperidine-1-carboxylate?
The IUPAC name of phenyl 4-(2-oxopropoxy)piperidine-1-carboxylate (CID 89146038) is phenyl 4-(2-oxopropoxy)piperidine-1-carboxylate.
What is the SMILES notation for phenyl 4-(2-oxopropoxy)piperidine-1-carboxylate?
The canonical SMILES for phenyl 4-(2-oxopropoxy)piperidine-1-carboxylate is CC(=O)COC1CCN(C(=O)Oc2ccccc2)CC1.
What is the InChIKey of phenyl 4-(2-oxopropoxy)piperidine-1-carboxylate?
The InChIKey is QIUXHEHJAVIDEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO4/c1-12(17)11-19-13-7-9-16(10-8-13)15(18)20-14-5-3-2-4-6-14/h2-6,13H,7-11H2,1H3.
What are the key properties of phenyl 4-(2-oxopropoxy)piperidine-1-carboxylate?
phenyl 4-(2-oxopropoxy)piperidine-1-carboxylate has a molecular weight of 277.32 g/mol, XLogP of 2.26, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl 4-(2-oxopropoxy)piperidine-1-carboxylate is sourced from PubChem (CID 89146038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).