ethyl 1-(3-cyano-3,3-diphenylpropyl)piperidine-4-carboxylate

C24H28N2O2 — CID 71454124

IUPACethyl 1-(3-cyano-3,3-diphenylpropyl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(CCC(C#N)(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C24H28N2O2/c1-2-28-23(27)20-13-16-26(17-14-20)18-15-24(19-25,21-9-5-3-6-10-21)22-11-7-4-8-12-22/h3-12,20H,2,13-18H2,1H3
InChIKeyPAMKTICGQZAPNI-UHFFFAOYSA-N
MW376.50 g/mol
LogP4.16
Rot. Bonds7

About ethyl 1-(3-cyano-3,3-diphenylpropyl)piperidine-4-carboxylate

ethyl 1-(3-cyano-3,3-diphenylpropyl)piperidine-4-carboxylate (PubChem CID 71454124) has the molecular formula C24H28N2O2 and a molecular weight of 376.50 g/mol. Its IUPAC name is ethyl 1-(3-cyano-3,3-diphenylpropyl)piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-(3-cyano-3,3-diphenylpropyl)piperidine-4-carboxylate
PubChem CID71454124
Molecular FormulaC24H28N2O2
Molecular Weight376.50 g/mol
Exact Mass376.22
IUPAC Nameethyl 1-(3-cyano-3,3-diphenylpropyl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(CCC(C#N)(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C24H28N2O2/c1-2-28-23(27)20-13-16-26(17-14-20)18-15-24(19-25,21-9-5-3-6-10-21)22-11-7-4-8-12-22/h3-12,20H,2,13-18H2,1H3
InChIKeyPAMKTICGQZAPNI-UHFFFAOYSA-N
XLogP4.16
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Diphenoxylate
CID 13505
Diphenoxylate Hydrochloride
CID 6432394
Ethyl 1-(3-phenyl-2-propen-1-yl)-4-piperidinecarboxylate
CID 782814
Pheneridine
CID 3029031
Ethyl 1-(4-biphenylylmethyl)-4-piperidinecarboxylate
CID 765234
Ethyl 4-phenyl-1-(3-phenylpropyl)piperidine-4-carboxylate
CID 18956195
(1-Ethylpiperidin-4-yl)methyl 2,2-diphenylpropanoate
CID 45268084
(1-Methylpiperidin-4-yl)methyl 2,2-diphenylpropanoate
CID 45273232
Ethyl 1-(2-cyanoethyl)-4-phenylpiperidine-4-carboxylate
CID 57345
Butoxylate
CID 189909
3-Methyl-4-(morpholin-4-yl)-2,2-diphenylbutanenitrile
CID 224579
Ethyl 4-benzyl-1-(cyclohex-3-en-1-ylmethyl)piperidine-4-carboxylate
CID 16188291

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(3-cyano-3,3-diphenylpropyl)piperidine-4-carboxylate?
The IUPAC name of ethyl 1-(3-cyano-3,3-diphenylpropyl)piperidine-4-carboxylate (CID 71454124) is ethyl 1-(3-cyano-3,3-diphenylpropyl)piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-(3-cyano-3,3-diphenylpropyl)piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-(3-cyano-3,3-diphenylpropyl)piperidine-4-carboxylate is CCOC(=O)C1CCN(CCC(C#N)(c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of ethyl 1-(3-cyano-3,3-diphenylpropyl)piperidine-4-carboxylate?
The InChIKey is PAMKTICGQZAPNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O2/c1-2-28-23(27)20-13-16-26(17-14-20)18-15-24(19-25,21-9-5-3-6-10-21)22-11-7-4-8-12-22/h3-12,20H,2,13-18H2,1H3.
What are the key properties of ethyl 1-(3-cyano-3,3-diphenylpropyl)piperidine-4-carboxylate?
ethyl 1-(3-cyano-3,3-diphenylpropyl)piperidine-4-carboxylate has a molecular weight of 376.50 g/mol, XLogP of 4.16, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(3-cyano-3,3-diphenylpropyl)piperidine-4-carboxylate is sourced from PubChem (CID 71454124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).