methyl 1-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]piperidine-4-carboxylate

C14H26N2O3 — CID 60672509

IUPACmethyl 1-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]piperidine-4-carboxylate
SMILESCCC(C)(C)NC(=O)CN1CCC(C(=O)OC)CC1
InChIInChI=1S/C14H26N2O3/c1-5-14(2,3)15-12(17)10-16-8-6-11(7-9-16)13(18)19-4/h11H,5-10H2,1-4H3,(H,15,17)
InChIKeyAFQQNFPEXATTQG-UHFFFAOYSA-N
MW270.37 g/mol
LogP1.18
Rot. Bonds5

About methyl 1-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]piperidine-4-carboxylate

methyl 1-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]piperidine-4-carboxylate (PubChem CID 60672509) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is methyl 1-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]piperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]piperidine-4-carboxylate
PubChem CID60672509
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Namemethyl 1-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]piperidine-4-carboxylate
SMILESCCC(C)(C)NC(=O)CN1CCC(C(=O)OC)CC1
InChIInChI=1S/C14H26N2O3/c1-5-14(2,3)15-12(17)10-16-8-6-11(7-9-16)13(18)19-4/h11H,5-10H2,1-4H3,(H,15,17)
InChIKeyAFQQNFPEXATTQG-UHFFFAOYSA-N
XLogP1.18
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 1-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]piperidine-4-carboxylate?
The IUPAC name of methyl 1-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]piperidine-4-carboxylate (CID 60672509) is methyl 1-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]piperidine-4-carboxylate.
What is the SMILES notation for methyl 1-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]piperidine-4-carboxylate?
The canonical SMILES for methyl 1-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]piperidine-4-carboxylate is CCC(C)(C)NC(=O)CN1CCC(C(=O)OC)CC1.
What is the InChIKey of methyl 1-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]piperidine-4-carboxylate?
The InChIKey is AFQQNFPEXATTQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-5-14(2,3)15-12(17)10-16-8-6-11(7-9-16)13(18)19-4/h11H,5-10H2,1-4H3,(H,15,17).
What are the key properties of methyl 1-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]piperidine-4-carboxylate?
methyl 1-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]piperidine-4-carboxylate has a molecular weight of 270.37 g/mol, XLogP of 1.18, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]piperidine-4-carboxylate is sourced from PubChem (CID 60672509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).