methyl 2-[4-[(2-cyclopropyloxan-4-yl)amino]piperidin-1-yl]acetate

C16H28N2O3 — CID 91648649

IUPACmethyl 2-[4-[(2-cyclopropyloxan-4-yl)amino]piperidin-1-yl]acetate
SMILESCOC(=O)CN1CCC(NC2CCOC(C3CC3)C2)CC1
InChIInChI=1S/C16H28N2O3/c1-20-16(19)11-18-7-4-13(5-8-18)17-14-6-9-21-15(10-14)12-2-3-12/h12-15,17H,2-11H2,1H3
InChIKeyLJSNQFLNZDRDIQ-UHFFFAOYSA-N
MW296.41 g/mol
LogP1.17
Rot. Bonds5

About methyl 2-[4-[(2-cyclopropyloxan-4-yl)amino]piperidin-1-yl]acetate

methyl 2-[4-[(2-cyclopropyloxan-4-yl)amino]piperidin-1-yl]acetate (PubChem CID 91648649) has the molecular formula C16H28N2O3 and a molecular weight of 296.41 g/mol. Its IUPAC name is methyl 2-[4-[(2-cyclopropyloxan-4-yl)amino]piperidin-1-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[4-[(2-cyclopropyloxan-4-yl)amino]piperidin-1-yl]acetate
PubChem CID91648649
Molecular FormulaC16H28N2O3
Molecular Weight296.41 g/mol
Exact Mass296.21
IUPAC Namemethyl 2-[4-[(2-cyclopropyloxan-4-yl)amino]piperidin-1-yl]acetate
SMILESCOC(=O)CN1CCC(NC2CCOC(C3CC3)C2)CC1
InChIInChI=1S/C16H28N2O3/c1-20-16(19)11-18-7-4-13(5-8-18)17-14-6-9-21-15(10-14)12-2-3-12/h12-15,17H,2-11H2,1H3
InChIKeyLJSNQFLNZDRDIQ-UHFFFAOYSA-N
XLogP1.17
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-[(2-cyclopropyloxan-4-yl)amino]piperidin-1-yl]acetate?
The IUPAC name of methyl 2-[4-[(2-cyclopropyloxan-4-yl)amino]piperidin-1-yl]acetate (CID 91648649) is methyl 2-[4-[(2-cyclopropyloxan-4-yl)amino]piperidin-1-yl]acetate.
What is the SMILES notation for methyl 2-[4-[(2-cyclopropyloxan-4-yl)amino]piperidin-1-yl]acetate?
The canonical SMILES for methyl 2-[4-[(2-cyclopropyloxan-4-yl)amino]piperidin-1-yl]acetate is COC(=O)CN1CCC(NC2CCOC(C3CC3)C2)CC1.
What is the InChIKey of methyl 2-[4-[(2-cyclopropyloxan-4-yl)amino]piperidin-1-yl]acetate?
The InChIKey is LJSNQFLNZDRDIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O3/c1-20-16(19)11-18-7-4-13(5-8-18)17-14-6-9-21-15(10-14)12-2-3-12/h12-15,17H,2-11H2,1H3.
What are the key properties of methyl 2-[4-[(2-cyclopropyloxan-4-yl)amino]piperidin-1-yl]acetate?
methyl 2-[4-[(2-cyclopropyloxan-4-yl)amino]piperidin-1-yl]acetate has a molecular weight of 296.41 g/mol, XLogP of 1.17, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-[(2-cyclopropyloxan-4-yl)amino]piperidin-1-yl]acetate is sourced from PubChem (CID 91648649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).