ethyl 1-(3-phenylbutanoyl)piperidine-4-carboxylate

C18H25NO3 — CID 2914925

IUPACethyl 1-(3-phenylbutanoyl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)CC(C)c2ccccc2)CC1
InChIInChI=1S/C18H25NO3/c1-3-22-18(21)16-9-11-19(12-10-16)17(20)13-14(2)15-7-5-4-6-8-15/h4-8,14,16H,3,9-13H2,1-2H3
InChIKeyAMGFQFUAAJFBHI-UHFFFAOYSA-N
MW303.40 g/mol
LogP2.98
Rot. Bonds5

About ethyl 1-(3-phenylbutanoyl)piperidine-4-carboxylate

ethyl 1-(3-phenylbutanoyl)piperidine-4-carboxylate (PubChem CID 2914925) has the molecular formula C18H25NO3 and a molecular weight of 303.40 g/mol. Its IUPAC name is ethyl 1-(3-phenylbutanoyl)piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-(3-phenylbutanoyl)piperidine-4-carboxylate
PubChem CID2914925
Molecular FormulaC18H25NO3
Molecular Weight303.40 g/mol
Exact Mass303.18
IUPAC Nameethyl 1-(3-phenylbutanoyl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)CC(C)c2ccccc2)CC1
InChIInChI=1S/C18H25NO3/c1-3-22-18(21)16-9-11-19(12-10-16)17(20)13-14(2)15-7-5-4-6-8-15/h4-8,14,16H,3,9-13H2,1-2H3
InChIKeyAMGFQFUAAJFBHI-UHFFFAOYSA-N
XLogP2.98
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.40
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-(3-phenylbutanoyl)piperidine-4-carboxylate?
The IUPAC name of ethyl 1-(3-phenylbutanoyl)piperidine-4-carboxylate (CID 2914925) is ethyl 1-(3-phenylbutanoyl)piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-(3-phenylbutanoyl)piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-(3-phenylbutanoyl)piperidine-4-carboxylate is CCOC(=O)C1CCN(C(=O)CC(C)c2ccccc2)CC1.
What is the InChIKey of ethyl 1-(3-phenylbutanoyl)piperidine-4-carboxylate?
The InChIKey is AMGFQFUAAJFBHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO3/c1-3-22-18(21)16-9-11-19(12-10-16)17(20)13-14(2)15-7-5-4-6-8-15/h4-8,14,16H,3,9-13H2,1-2H3.
What are the key properties of ethyl 1-(3-phenylbutanoyl)piperidine-4-carboxylate?
ethyl 1-(3-phenylbutanoyl)piperidine-4-carboxylate has a molecular weight of 303.40 g/mol, XLogP of 2.98, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(3-phenylbutanoyl)piperidine-4-carboxylate is sourced from PubChem (CID 2914925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).