ethyl 1-(oxolane-3-carbonyl)-4-(2-phenylethyl)piperidine-4-carboxylate

C21H29NO4 — CID 45190006

IUPACethyl 1-(oxolane-3-carbonyl)-4-(2-phenylethyl)piperidine-4-carboxylate
SMILESCCOC(=O)C1(CCc2ccccc2)CCN(C(=O)C2CCOC2)CC1
InChIInChI=1S/C21H29NO4/c1-2-26-20(24)21(10-8-17-6-4-3-5-7-17)11-13-22(14-12-21)19(23)18-9-15-25-16-18/h3-7,18H,2,8-16H2,1H3
InChIKeyKQVSIPJAXSPACL-UHFFFAOYSA-N
MW359.47 g/mol
LogP2.83
Rot. Bonds6

About ethyl 1-(oxolane-3-carbonyl)-4-(2-phenylethyl)piperidine-4-carboxylate

ethyl 1-(oxolane-3-carbonyl)-4-(2-phenylethyl)piperidine-4-carboxylate (PubChem CID 45190006) has the molecular formula C21H29NO4 and a molecular weight of 359.47 g/mol. Its IUPAC name is ethyl 1-(oxolane-3-carbonyl)-4-(2-phenylethyl)piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-(oxolane-3-carbonyl)-4-(2-phenylethyl)piperidine-4-carboxylate
PubChem CID45190006
Molecular FormulaC21H29NO4
Molecular Weight359.47 g/mol
Exact Mass359.21
IUPAC Nameethyl 1-(oxolane-3-carbonyl)-4-(2-phenylethyl)piperidine-4-carboxylate
SMILESCCOC(=O)C1(CCc2ccccc2)CCN(C(=O)C2CCOC2)CC1
InChIInChI=1S/C21H29NO4/c1-2-26-20(24)21(10-8-17-6-4-3-5-7-17)11-13-22(14-12-21)19(23)18-9-15-25-16-18/h3-7,18H,2,8-16H2,1H3
InChIKeyKQVSIPJAXSPACL-UHFFFAOYSA-N
XLogP2.83
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Ethyl 1-(3-phenylpropanoyl)piperidine-4-carboxylate
CID 669998
Ethyl 1-hexyl-4-phenylpiperidine-4-carboxylate
CID 18957815
Ethyl 1-butyl-4-phenylpiperidine-4-carboxylate
CID 23275699
Ethyl 1-ethyl-4-phenylpiperidine-4-carboxylate
CID 44284477
Ethyl 1-[2-(4-methylphenyl)acetyl]piperidine-4-carboxylate
CID 756675
1-[3-(2,2-dimethyltetrahydro-2H-pyran-4-yl)-4-phenylbutanoyl]pyrrolidine
CID 3795985
ethyl 4-(2-phenylethyl)-1-(tetrahydro-2H-pyran-4-ylcarbonyl)-4-piperidinecarboxylate
CID 16187606
Ethyl 1-[(2-oxo-1,3-oxazolidin-3-yl)acetyl]-4-(2-phenylethyl)-4-piperidinecarboxylate
CID 16188262
Ethyl 1-cyclopentyl-4-(3-phenylpropyl)piperidine-4-carboxylate
CID 16188540
Ethyl 1'-acetyl-4-(3-phenylpropyl)-1,4'-bipiperidine-4-carboxylate
CID 16189220
Ethyl 1-(3-methoxypropanoyl)-4-(3-phenylpropyl)-4-piperidinecarboxylate
CID 16190376
Methyl 4-[3-benzyl-3-(hydroxymethyl)piperidin-1-yl]-4-oxobutanoate
CID 16192216

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(oxolane-3-carbonyl)-4-(2-phenylethyl)piperidine-4-carboxylate?
The IUPAC name of ethyl 1-(oxolane-3-carbonyl)-4-(2-phenylethyl)piperidine-4-carboxylate (CID 45190006) is ethyl 1-(oxolane-3-carbonyl)-4-(2-phenylethyl)piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-(oxolane-3-carbonyl)-4-(2-phenylethyl)piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-(oxolane-3-carbonyl)-4-(2-phenylethyl)piperidine-4-carboxylate is CCOC(=O)C1(CCc2ccccc2)CCN(C(=O)C2CCOC2)CC1.
What is the InChIKey of ethyl 1-(oxolane-3-carbonyl)-4-(2-phenylethyl)piperidine-4-carboxylate?
The InChIKey is KQVSIPJAXSPACL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29NO4/c1-2-26-20(24)21(10-8-17-6-4-3-5-7-17)11-13-22(14-12-21)19(23)18-9-15-25-16-18/h3-7,18H,2,8-16H2,1H3.
What are the key properties of ethyl 1-(oxolane-3-carbonyl)-4-(2-phenylethyl)piperidine-4-carboxylate?
ethyl 1-(oxolane-3-carbonyl)-4-(2-phenylethyl)piperidine-4-carboxylate has a molecular weight of 359.47 g/mol, XLogP of 2.83, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(oxolane-3-carbonyl)-4-(2-phenylethyl)piperidine-4-carboxylate is sourced from PubChem (CID 45190006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).