tert-butyl 4-[2-[methyl(piperidin-4-yl)amino]-2-oxoethyl]piperazine-1-carboxylate

C17H32N4O3 — CID 69236192

IUPACtert-butyl 4-[2-[methyl(piperidin-4-yl)amino]-2-oxoethyl]piperazine-1-carboxylate
SMILESCN(C(=O)CN1CCN(C(=O)OC(C)(C)C)CC1)C1CCNCC1
InChIInChI=1S/C17H32N4O3/c1-17(2,3)24-16(23)21-11-9-20(10-12-21)13-15(22)19(4)14-5-7-18-8-6-14/h14,18H,5-13H2,1-4H3
InChIKeyVAOOTNSCHGZUPZ-UHFFFAOYSA-N
MW340.47 g/mol
LogP0.75
Rot. Bonds3

About tert-butyl 4-[2-[methyl(piperidin-4-yl)amino]-2-oxoethyl]piperazine-1-carboxylate

tert-butyl 4-[2-[methyl(piperidin-4-yl)amino]-2-oxoethyl]piperazine-1-carboxylate (PubChem CID 69236192) has the molecular formula C17H32N4O3 and a molecular weight of 340.47 g/mol. Its IUPAC name is tert-butyl 4-[2-[methyl(piperidin-4-yl)amino]-2-oxoethyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[2-[methyl(piperidin-4-yl)amino]-2-oxoethyl]piperazine-1-carboxylate
PubChem CID69236192
Molecular FormulaC17H32N4O3
Molecular Weight340.47 g/mol
Exact Mass340.25
IUPAC Nametert-butyl 4-[2-[methyl(piperidin-4-yl)amino]-2-oxoethyl]piperazine-1-carboxylate
SMILESCN(C(=O)CN1CCN(C(=O)OC(C)(C)C)CC1)C1CCNCC1
InChIInChI=1S/C17H32N4O3/c1-17(2,3)24-16(23)21-11-9-20(10-12-21)13-15(22)19(4)14-5-7-18-8-6-14/h14,18H,5-13H2,1-4H3
InChIKeyVAOOTNSCHGZUPZ-UHFFFAOYSA-N
XLogP0.75
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[2-[methyl(piperidin-4-yl)amino]-2-oxoethyl]piperazine-1-carboxylate?
The IUPAC name of tert-butyl 4-[2-[methyl(piperidin-4-yl)amino]-2-oxoethyl]piperazine-1-carboxylate (CID 69236192) is tert-butyl 4-[2-[methyl(piperidin-4-yl)amino]-2-oxoethyl]piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[2-[methyl(piperidin-4-yl)amino]-2-oxoethyl]piperazine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[2-[methyl(piperidin-4-yl)amino]-2-oxoethyl]piperazine-1-carboxylate is CN(C(=O)CN1CCN(C(=O)OC(C)(C)C)CC1)C1CCNCC1.
What is the InChIKey of tert-butyl 4-[2-[methyl(piperidin-4-yl)amino]-2-oxoethyl]piperazine-1-carboxylate?
The InChIKey is VAOOTNSCHGZUPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N4O3/c1-17(2,3)24-16(23)21-11-9-20(10-12-21)13-15(22)19(4)14-5-7-18-8-6-14/h14,18H,5-13H2,1-4H3.
What are the key properties of tert-butyl 4-[2-[methyl(piperidin-4-yl)amino]-2-oxoethyl]piperazine-1-carboxylate?
tert-butyl 4-[2-[methyl(piperidin-4-yl)amino]-2-oxoethyl]piperazine-1-carboxylate has a molecular weight of 340.47 g/mol, XLogP of 0.75, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[2-[methyl(piperidin-4-yl)amino]-2-oxoethyl]piperazine-1-carboxylate is sourced from PubChem (CID 69236192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).