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

C18H34N4O3 — CID 59780687

IUPACtert-butyl 4-[2-[ethyl(piperidin-4-yl)amino]-2-oxoethyl]piperazine-1-carboxylate
SMILESCCN(C(=O)CN1CCN(C(=O)OC(C)(C)C)CC1)C1CCNCC1
InChIInChI=1S/C18H34N4O3/c1-5-22(15-6-8-19-9-7-15)16(23)14-20-10-12-21(13-11-20)17(24)25-18(2,3)4/h15,19H,5-14H2,1-4H3
InChIKeyNYXBPNIBTHHREK-UHFFFAOYSA-N
MW354.50 g/mol
LogP1.14
Rot. Bonds4

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

tert-butyl 4-[2-[ethyl(piperidin-4-yl)amino]-2-oxoethyl]piperazine-1-carboxylate (PubChem CID 59780687) has the molecular formula C18H34N4O3 and a molecular weight of 354.50 g/mol. Its IUPAC name is tert-butyl 4-[2-[ethyl(piperidin-4-yl)amino]-2-oxoethyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[2-[ethyl(piperidin-4-yl)amino]-2-oxoethyl]piperazine-1-carboxylate
PubChem CID59780687
Molecular FormulaC18H34N4O3
Molecular Weight354.50 g/mol
Exact Mass354.26
IUPAC Nametert-butyl 4-[2-[ethyl(piperidin-4-yl)amino]-2-oxoethyl]piperazine-1-carboxylate
SMILESCCN(C(=O)CN1CCN(C(=O)OC(C)(C)C)CC1)C1CCNCC1
InChIInChI=1S/C18H34N4O3/c1-5-22(15-6-8-19-9-7-15)16(23)14-20-10-12-21(13-11-20)17(24)25-18(2,3)4/h15,19H,5-14H2,1-4H3
InChIKeyNYXBPNIBTHHREK-UHFFFAOYSA-N
XLogP1.14
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.50
LogP ≤ 51.14
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-[ethyl(piperidin-4-yl)amino]-2-oxoethyl]piperazine-1-carboxylate?
The IUPAC name of tert-butyl 4-[2-[ethyl(piperidin-4-yl)amino]-2-oxoethyl]piperazine-1-carboxylate (CID 59780687) is tert-butyl 4-[2-[ethyl(piperidin-4-yl)amino]-2-oxoethyl]piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[2-[ethyl(piperidin-4-yl)amino]-2-oxoethyl]piperazine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[2-[ethyl(piperidin-4-yl)amino]-2-oxoethyl]piperazine-1-carboxylate is CCN(C(=O)CN1CCN(C(=O)OC(C)(C)C)CC1)C1CCNCC1.
What is the InChIKey of tert-butyl 4-[2-[ethyl(piperidin-4-yl)amino]-2-oxoethyl]piperazine-1-carboxylate?
The InChIKey is NYXBPNIBTHHREK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N4O3/c1-5-22(15-6-8-19-9-7-15)16(23)14-20-10-12-21(13-11-20)17(24)25-18(2,3)4/h15,19H,5-14H2,1-4H3.
What are the key properties of tert-butyl 4-[2-[ethyl(piperidin-4-yl)amino]-2-oxoethyl]piperazine-1-carboxylate?
tert-butyl 4-[2-[ethyl(piperidin-4-yl)amino]-2-oxoethyl]piperazine-1-carboxylate has a molecular weight of 354.50 g/mol, XLogP of 1.14, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[2-[ethyl(piperidin-4-yl)amino]-2-oxoethyl]piperazine-1-carboxylate is sourced from PubChem (CID 59780687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).