ethyl 1-[3-(ethylamino)-2-methylpropanoyl]piperidine-4-carboxylate

C14H26N2O3 — CID 55122732

IUPACethyl 1-[3-(ethylamino)-2-methylpropanoyl]piperidine-4-carboxylate
SMILESCCNCC(C)C(=O)N1CCC(C(=O)OCC)CC1
InChIInChI=1S/C14H26N2O3/c1-4-15-10-11(3)13(17)16-8-6-12(7-9-16)14(18)19-5-2/h11-12,15H,4-10H2,1-3H3
InChIKeyMYVVYVFIXRUKRN-UHFFFAOYSA-N
MW270.37 g/mol
LogP1.03
Rot. Bonds6

About ethyl 1-[3-(ethylamino)-2-methylpropanoyl]piperidine-4-carboxylate

ethyl 1-[3-(ethylamino)-2-methylpropanoyl]piperidine-4-carboxylate (PubChem CID 55122732) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is ethyl 1-[3-(ethylamino)-2-methylpropanoyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[3-(ethylamino)-2-methylpropanoyl]piperidine-4-carboxylate
PubChem CID55122732
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Nameethyl 1-[3-(ethylamino)-2-methylpropanoyl]piperidine-4-carboxylate
SMILESCCNCC(C)C(=O)N1CCC(C(=O)OCC)CC1
InChIInChI=1S/C14H26N2O3/c1-4-15-10-11(3)13(17)16-8-6-12(7-9-16)14(18)19-5-2/h11-12,15H,4-10H2,1-3H3
InChIKeyMYVVYVFIXRUKRN-UHFFFAOYSA-N
XLogP1.03
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-[3-(ethylamino)-2-methylpropanoyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[3-(ethylamino)-2-methylpropanoyl]piperidine-4-carboxylate (CID 55122732) is ethyl 1-[3-(ethylamino)-2-methylpropanoyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[3-(ethylamino)-2-methylpropanoyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[3-(ethylamino)-2-methylpropanoyl]piperidine-4-carboxylate is CCNCC(C)C(=O)N1CCC(C(=O)OCC)CC1.
What is the InChIKey of ethyl 1-[3-(ethylamino)-2-methylpropanoyl]piperidine-4-carboxylate?
The InChIKey is MYVVYVFIXRUKRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-4-15-10-11(3)13(17)16-8-6-12(7-9-16)14(18)19-5-2/h11-12,15H,4-10H2,1-3H3.
What are the key properties of ethyl 1-[3-(ethylamino)-2-methylpropanoyl]piperidine-4-carboxylate?
ethyl 1-[3-(ethylamino)-2-methylpropanoyl]piperidine-4-carboxylate has a molecular weight of 270.37 g/mol, XLogP of 1.03, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[3-(ethylamino)-2-methylpropanoyl]piperidine-4-carboxylate is sourced from PubChem (CID 55122732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).