ethyl 4-[(4-oxo-4-phenylbutanoyl)amino]piperidine-1-carboxylate

C18H24N2O4 — CID 3243449

IUPACethyl 4-[(4-oxo-4-phenylbutanoyl)amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)CCC(=O)c2ccccc2)CC1
InChIInChI=1S/C18H24N2O4/c1-2-24-18(23)20-12-10-15(11-13-20)19-17(22)9-8-16(21)14-6-4-3-5-7-14/h3-7,15H,2,8-13H2,1H3,(H,19,22)
InChIKeyRCEHBXALLHWWOQ-UHFFFAOYSA-N
MW332.40 g/mol
LogP2.39
Rot. Bonds6

About ethyl 4-[(4-oxo-4-phenylbutanoyl)amino]piperidine-1-carboxylate

ethyl 4-[(4-oxo-4-phenylbutanoyl)amino]piperidine-1-carboxylate (PubChem CID 3243449) has the molecular formula C18H24N2O4 and a molecular weight of 332.40 g/mol. Its IUPAC name is ethyl 4-[(4-oxo-4-phenylbutanoyl)amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[(4-oxo-4-phenylbutanoyl)amino]piperidine-1-carboxylate
PubChem CID3243449
Molecular FormulaC18H24N2O4
Molecular Weight332.40 g/mol
Exact Mass332.17
IUPAC Nameethyl 4-[(4-oxo-4-phenylbutanoyl)amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)CCC(=O)c2ccccc2)CC1
InChIInChI=1S/C18H24N2O4/c1-2-24-18(23)20-12-10-15(11-13-20)19-17(22)9-8-16(21)14-6-4-3-5-7-14/h3-7,15H,2,8-13H2,1H3,(H,19,22)
InChIKeyRCEHBXALLHWWOQ-UHFFFAOYSA-N
XLogP2.39
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(4-oxo-4-phenylbutanoyl)amino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[(4-oxo-4-phenylbutanoyl)amino]piperidine-1-carboxylate (CID 3243449) is ethyl 4-[(4-oxo-4-phenylbutanoyl)amino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[(4-oxo-4-phenylbutanoyl)amino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[(4-oxo-4-phenylbutanoyl)amino]piperidine-1-carboxylate is CCOC(=O)N1CCC(NC(=O)CCC(=O)c2ccccc2)CC1.
What is the InChIKey of ethyl 4-[(4-oxo-4-phenylbutanoyl)amino]piperidine-1-carboxylate?
The InChIKey is RCEHBXALLHWWOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O4/c1-2-24-18(23)20-12-10-15(11-13-20)19-17(22)9-8-16(21)14-6-4-3-5-7-14/h3-7,15H,2,8-13H2,1H3,(H,19,22).
What are the key properties of ethyl 4-[(4-oxo-4-phenylbutanoyl)amino]piperidine-1-carboxylate?
ethyl 4-[(4-oxo-4-phenylbutanoyl)amino]piperidine-1-carboxylate has a molecular weight of 332.40 g/mol, XLogP of 2.39, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(4-oxo-4-phenylbutanoyl)amino]piperidine-1-carboxylate is sourced from PubChem (CID 3243449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).