ethyl 1-[3-(4-methylanilino)-3-oxopropyl]piperidine-4-carboxylate

C18H26N2O3 — CID 772564

IUPACethyl 1-[3-(4-methylanilino)-3-oxopropyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(CCC(=O)Nc2ccc(C)cc2)CC1
InChIInChI=1S/C18H26N2O3/c1-3-23-18(22)15-8-11-20(12-9-15)13-10-17(21)19-16-6-4-14(2)5-7-16/h4-7,15H,3,8-13H2,1-2H3,(H,19,21)
InChIKeyUYKRTPLYKHJURI-UHFFFAOYSA-N
MW318.42 g/mol
LogP2.60
Rot. Bonds6

About ethyl 1-[3-(4-methylanilino)-3-oxopropyl]piperidine-4-carboxylate

ethyl 1-[3-(4-methylanilino)-3-oxopropyl]piperidine-4-carboxylate (PubChem CID 772564) has the molecular formula C18H26N2O3 and a molecular weight of 318.42 g/mol. Its IUPAC name is ethyl 1-[3-(4-methylanilino)-3-oxopropyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[3-(4-methylanilino)-3-oxopropyl]piperidine-4-carboxylate
PubChem CID772564
Molecular FormulaC18H26N2O3
Molecular Weight318.42 g/mol
Exact Mass318.19
IUPAC Nameethyl 1-[3-(4-methylanilino)-3-oxopropyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(CCC(=O)Nc2ccc(C)cc2)CC1
InChIInChI=1S/C18H26N2O3/c1-3-23-18(22)15-8-11-20(12-9-15)13-10-17(21)19-16-6-4-14(2)5-7-16/h4-7,15H,3,8-13H2,1-2H3,(H,19,21)
InChIKeyUYKRTPLYKHJURI-UHFFFAOYSA-N
XLogP2.60
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-[3-(4-methylanilino)-3-oxopropyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[3-(4-methylanilino)-3-oxopropyl]piperidine-4-carboxylate (CID 772564) is ethyl 1-[3-(4-methylanilino)-3-oxopropyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[3-(4-methylanilino)-3-oxopropyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[3-(4-methylanilino)-3-oxopropyl]piperidine-4-carboxylate is CCOC(=O)C1CCN(CCC(=O)Nc2ccc(C)cc2)CC1.
What is the InChIKey of ethyl 1-[3-(4-methylanilino)-3-oxopropyl]piperidine-4-carboxylate?
The InChIKey is UYKRTPLYKHJURI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O3/c1-3-23-18(22)15-8-11-20(12-9-15)13-10-17(21)19-16-6-4-14(2)5-7-16/h4-7,15H,3,8-13H2,1-2H3,(H,19,21).
What are the key properties of ethyl 1-[3-(4-methylanilino)-3-oxopropyl]piperidine-4-carboxylate?
ethyl 1-[3-(4-methylanilino)-3-oxopropyl]piperidine-4-carboxylate has a molecular weight of 318.42 g/mol, XLogP of 2.60, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[3-(4-methylanilino)-3-oxopropyl]piperidine-4-carboxylate is sourced from PubChem (CID 772564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).