ethyl 1-(3,3-diphenylpropanoyl)piperidine-3-carboxylate

C23H27NO3 — CID 2905435

IUPACethyl 1-(3,3-diphenylpropanoyl)piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(C(=O)CC(c2ccccc2)c2ccccc2)C1
InChIInChI=1S/C23H27NO3/c1-2-27-23(26)20-14-9-15-24(17-20)22(25)16-21(18-10-5-3-6-11-18)19-12-7-4-8-13-19/h3-8,10-13,20-21H,2,9,14-17H2,1H3
InChIKeyULOWNBLXQZAVGV-UHFFFAOYSA-N
MW365.47 g/mol
LogP4.01
Rot. Bonds6

About ethyl 1-(3,3-diphenylpropanoyl)piperidine-3-carboxylate

ethyl 1-(3,3-diphenylpropanoyl)piperidine-3-carboxylate (PubChem CID 2905435) has the molecular formula C23H27NO3 and a molecular weight of 365.47 g/mol. Its IUPAC name is ethyl 1-(3,3-diphenylpropanoyl)piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-(3,3-diphenylpropanoyl)piperidine-3-carboxylate
PubChem CID2905435
Molecular FormulaC23H27NO3
Molecular Weight365.47 g/mol
Exact Mass365.20
IUPAC Nameethyl 1-(3,3-diphenylpropanoyl)piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(C(=O)CC(c2ccccc2)c2ccccc2)C1
InChIInChI=1S/C23H27NO3/c1-2-27-23(26)20-14-9-15-24(17-20)22(25)16-21(18-10-5-3-6-11-18)19-12-7-4-8-13-19/h3-8,10-13,20-21H,2,9,14-17H2,1H3
InChIKeyULOWNBLXQZAVGV-UHFFFAOYSA-N
XLogP4.01
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.47
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-(3,3-diphenylpropanoyl)piperidine-3-carboxylate?
The IUPAC name of ethyl 1-(3,3-diphenylpropanoyl)piperidine-3-carboxylate (CID 2905435) is ethyl 1-(3,3-diphenylpropanoyl)piperidine-3-carboxylate.
What is the SMILES notation for ethyl 1-(3,3-diphenylpropanoyl)piperidine-3-carboxylate?
The canonical SMILES for ethyl 1-(3,3-diphenylpropanoyl)piperidine-3-carboxylate is CCOC(=O)C1CCCN(C(=O)CC(c2ccccc2)c2ccccc2)C1.
What is the InChIKey of ethyl 1-(3,3-diphenylpropanoyl)piperidine-3-carboxylate?
The InChIKey is ULOWNBLXQZAVGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27NO3/c1-2-27-23(26)20-14-9-15-24(17-20)22(25)16-21(18-10-5-3-6-11-18)19-12-7-4-8-13-19/h3-8,10-13,20-21H,2,9,14-17H2,1H3.
What are the key properties of ethyl 1-(3,3-diphenylpropanoyl)piperidine-3-carboxylate?
ethyl 1-(3,3-diphenylpropanoyl)piperidine-3-carboxylate has a molecular weight of 365.47 g/mol, XLogP of 4.01, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(3,3-diphenylpropanoyl)piperidine-3-carboxylate is sourced from PubChem (CID 2905435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).