methyl 4-[1-cyclopentyl-2-(4-methylpiperidin-1-yl)-2-oxoethyl]piperazine-1-carboxylate

C19H33N3O3 — CID 42842351

IUPACmethyl 4-[1-cyclopentyl-2-(4-methylpiperidin-1-yl)-2-oxoethyl]piperazine-1-carboxylate
SMILESCOC(=O)N1CCN(C(C(=O)N2CCC(C)CC2)C2CCCC2)CC1
InChIInChI=1S/C19H33N3O3/c1-15-7-9-21(10-8-15)18(23)17(16-5-3-4-6-16)20-11-13-22(14-12-20)19(24)25-2/h15-17H,3-14H2,1-2H3
InChIKeyQCRNCCDVSCROFO-UHFFFAOYSA-N
MW351.49 g/mol
LogP2.19
Rot. Bonds3

About methyl 4-[1-cyclopentyl-2-(4-methylpiperidin-1-yl)-2-oxoethyl]piperazine-1-carboxylate

methyl 4-[1-cyclopentyl-2-(4-methylpiperidin-1-yl)-2-oxoethyl]piperazine-1-carboxylate (PubChem CID 42842351) has the molecular formula C19H33N3O3 and a molecular weight of 351.49 g/mol. Its IUPAC name is methyl 4-[1-cyclopentyl-2-(4-methylpiperidin-1-yl)-2-oxoethyl]piperazine-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-[1-cyclopentyl-2-(4-methylpiperidin-1-yl)-2-oxoethyl]piperazine-1-carboxylate
PubChem CID42842351
Molecular FormulaC19H33N3O3
Molecular Weight351.49 g/mol
Exact Mass351.25
IUPAC Namemethyl 4-[1-cyclopentyl-2-(4-methylpiperidin-1-yl)-2-oxoethyl]piperazine-1-carboxylate
SMILESCOC(=O)N1CCN(C(C(=O)N2CCC(C)CC2)C2CCCC2)CC1
InChIInChI=1S/C19H33N3O3/c1-15-7-9-21(10-8-15)18(23)17(16-5-3-4-6-16)20-11-13-22(14-12-20)19(24)25-2/h15-17H,3-14H2,1-2H3
InChIKeyQCRNCCDVSCROFO-UHFFFAOYSA-N
XLogP2.19
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.49
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 4-[1-cyclopentyl-2-(4-methylpiperidin-1-yl)-2-oxoethyl]piperazine-1-carboxylate?
The IUPAC name of methyl 4-[1-cyclopentyl-2-(4-methylpiperidin-1-yl)-2-oxoethyl]piperazine-1-carboxylate (CID 42842351) is methyl 4-[1-cyclopentyl-2-(4-methylpiperidin-1-yl)-2-oxoethyl]piperazine-1-carboxylate.
What is the SMILES notation for methyl 4-[1-cyclopentyl-2-(4-methylpiperidin-1-yl)-2-oxoethyl]piperazine-1-carboxylate?
The canonical SMILES for methyl 4-[1-cyclopentyl-2-(4-methylpiperidin-1-yl)-2-oxoethyl]piperazine-1-carboxylate is COC(=O)N1CCN(C(C(=O)N2CCC(C)CC2)C2CCCC2)CC1.
What is the InChIKey of methyl 4-[1-cyclopentyl-2-(4-methylpiperidin-1-yl)-2-oxoethyl]piperazine-1-carboxylate?
The InChIKey is QCRNCCDVSCROFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N3O3/c1-15-7-9-21(10-8-15)18(23)17(16-5-3-4-6-16)20-11-13-22(14-12-20)19(24)25-2/h15-17H,3-14H2,1-2H3.
What are the key properties of methyl 4-[1-cyclopentyl-2-(4-methylpiperidin-1-yl)-2-oxoethyl]piperazine-1-carboxylate?
methyl 4-[1-cyclopentyl-2-(4-methylpiperidin-1-yl)-2-oxoethyl]piperazine-1-carboxylate has a molecular weight of 351.49 g/mol, XLogP of 2.19, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[1-cyclopentyl-2-(4-methylpiperidin-1-yl)-2-oxoethyl]piperazine-1-carboxylate is sourced from PubChem (CID 42842351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).