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

C19H35N3O3 — CID 55591816

IUPACtert-butyl 4-[2-[cyclohexyl(ethyl)amino]-2-oxoethyl]piperazine-1-carboxylate
SMILESCCN(C(=O)CN1CCN(C(=O)OC(C)(C)C)CC1)C1CCCCC1
InChIInChI=1S/C19H35N3O3/c1-5-22(16-9-7-6-8-10-16)17(23)15-20-11-13-21(14-12-20)18(24)25-19(2,3)4/h16H,5-15H2,1-4H3
InChIKeySVDDOMPEKFSUJS-UHFFFAOYSA-N
MW353.51 g/mol
LogP2.72
Rot. Bonds4

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

tert-butyl 4-[2-[cyclohexyl(ethyl)amino]-2-oxoethyl]piperazine-1-carboxylate (PubChem CID 55591816) has the molecular formula C19H35N3O3 and a molecular weight of 353.51 g/mol. Its IUPAC name is tert-butyl 4-[2-[cyclohexyl(ethyl)amino]-2-oxoethyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[2-[cyclohexyl(ethyl)amino]-2-oxoethyl]piperazine-1-carboxylate
PubChem CID55591816
Molecular FormulaC19H35N3O3
Molecular Weight353.51 g/mol
Exact Mass353.27
IUPAC Nametert-butyl 4-[2-[cyclohexyl(ethyl)amino]-2-oxoethyl]piperazine-1-carboxylate
SMILESCCN(C(=O)CN1CCN(C(=O)OC(C)(C)C)CC1)C1CCCCC1
InChIInChI=1S/C19H35N3O3/c1-5-22(16-9-7-6-8-10-16)17(23)15-20-11-13-21(14-12-20)18(24)25-19(2,3)4/h16H,5-15H2,1-4H3
InChIKeySVDDOMPEKFSUJS-UHFFFAOYSA-N
XLogP2.72
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.51
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 4-[2-[cyclopentyl-(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]piperazine-1-carboxylate
CID 55482342
tert-butyl 3-[4-[2-(diethylamino)-2-oxoethyl]piperazine-1-carbonyl]piperidine-1-carboxylate
CID 55461699
N-cyclohexyl-N-ethyl-2-[4-(2-hydroxyethyl)piperazin-1-yl]acetamide
CID 60689929
N-cyclohexyl-N-ethyl-2-[4-(ethylaminomethyl)piperidin-1-yl]acetamide
CID 119928234
N-cyclopentyl-N-ethyl-2-piperazin-1-ylacetamide
CID 43541539
tert-butyl 4-[2-[[cyclohexyl(methyl)sulfamoyl]amino]ethyl]piperazine-1-carboxylate
CID 55737815
tert-butyl 4-ethylpiperazine-1-carboxylate
CID 21224793
tert-butyl 4-[2-(cyclopentylcarbamoylamino)-2-oxoethyl]piperazine-1-carboxylate
CID 34196633
tert-butyl 4-[(1-cyclohexylpiperidin-4-yl)methyl]piperazine-1-carboxylate
CID 166459229
tert-butyl 4-[2-[ethyl(piperidin-4-yl)amino]-2-oxoethyl]piperidine-1-carboxylate
CID 59780681
N-cyclohexyl-2-(1,4-diazepan-1-yl)-N-ethylacetamide;hydrochloride
CID 119906882
tert-butyl 4-[2-aminopropanoyl(ethyl)amino]piperidine-1-carboxylate
CID 77143621

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[2-[cyclohexyl(ethyl)amino]-2-oxoethyl]piperazine-1-carboxylate?
The IUPAC name of tert-butyl 4-[2-[cyclohexyl(ethyl)amino]-2-oxoethyl]piperazine-1-carboxylate (CID 55591816) is tert-butyl 4-[2-[cyclohexyl(ethyl)amino]-2-oxoethyl]piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[2-[cyclohexyl(ethyl)amino]-2-oxoethyl]piperazine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[2-[cyclohexyl(ethyl)amino]-2-oxoethyl]piperazine-1-carboxylate is CCN(C(=O)CN1CCN(C(=O)OC(C)(C)C)CC1)C1CCCCC1.
What is the InChIKey of tert-butyl 4-[2-[cyclohexyl(ethyl)amino]-2-oxoethyl]piperazine-1-carboxylate?
The InChIKey is SVDDOMPEKFSUJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35N3O3/c1-5-22(16-9-7-6-8-10-16)17(23)15-20-11-13-21(14-12-20)18(24)25-19(2,3)4/h16H,5-15H2,1-4H3.
What are the key properties of tert-butyl 4-[2-[cyclohexyl(ethyl)amino]-2-oxoethyl]piperazine-1-carboxylate?
tert-butyl 4-[2-[cyclohexyl(ethyl)amino]-2-oxoethyl]piperazine-1-carboxylate has a molecular weight of 353.51 g/mol, XLogP of 2.72, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[2-[cyclohexyl(ethyl)amino]-2-oxoethyl]piperazine-1-carboxylate is sourced from PubChem (CID 55591816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).