methyl 2-[4-[5-(1-methylcyclopropyl)-2-pyridinyl]morpholin-2-yl]acetate

C16H22N2O3 — CID 167896835

IUPACmethyl 2-[4-[5-(1-methylcyclopropyl)-2-pyridinyl]morpholin-2-yl]acetate
SMILESCOC(=O)CC1CN(c2ccc(C3(C)CC3)cn2)CCO1
InChIInChI=1S/C16H22N2O3/c1-16(5-6-16)12-3-4-14(17-10-12)18-7-8-21-13(11-18)9-15(19)20-2/h3-4,10,13H,5-9,11H2,1-2H3
InChIKeyNCPKHKKJUMTYQD-UHFFFAOYSA-N
MW290.36 g/mol
LogP1.90
Rot. Bonds4

About methyl 2-[4-[5-(1-methylcyclopropyl)-2-pyridinyl]morpholin-2-yl]acetate

methyl 2-[4-[5-(1-methylcyclopropyl)-2-pyridinyl]morpholin-2-yl]acetate (PubChem CID 167896835) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is methyl 2-[4-[5-(1-methylcyclopropyl)-2-pyridinyl]morpholin-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[4-[5-(1-methylcyclopropyl)-2-pyridinyl]morpholin-2-yl]acetate
PubChem CID167896835
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Namemethyl 2-[4-[5-(1-methylcyclopropyl)-2-pyridinyl]morpholin-2-yl]acetate
SMILESCOC(=O)CC1CN(c2ccc(C3(C)CC3)cn2)CCO1
InChIInChI=1S/C16H22N2O3/c1-16(5-6-16)12-3-4-14(17-10-12)18-7-8-21-13(11-18)9-15(19)20-2/h3-4,10,13H,5-9,11H2,1-2H3
InChIKeyNCPKHKKJUMTYQD-UHFFFAOYSA-N
XLogP1.90
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-[5-(1-methylcyclopropyl)-2-pyridinyl]morpholin-2-yl]acetate?
The IUPAC name of methyl 2-[4-[5-(1-methylcyclopropyl)-2-pyridinyl]morpholin-2-yl]acetate (CID 167896835) is methyl 2-[4-[5-(1-methylcyclopropyl)-2-pyridinyl]morpholin-2-yl]acetate.
What is the SMILES notation for methyl 2-[4-[5-(1-methylcyclopropyl)-2-pyridinyl]morpholin-2-yl]acetate?
The canonical SMILES for methyl 2-[4-[5-(1-methylcyclopropyl)-2-pyridinyl]morpholin-2-yl]acetate is COC(=O)CC1CN(c2ccc(C3(C)CC3)cn2)CCO1.
What is the InChIKey of methyl 2-[4-[5-(1-methylcyclopropyl)-2-pyridinyl]morpholin-2-yl]acetate?
The InChIKey is NCPKHKKJUMTYQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-16(5-6-16)12-3-4-14(17-10-12)18-7-8-21-13(11-18)9-15(19)20-2/h3-4,10,13H,5-9,11H2,1-2H3.
What are the key properties of methyl 2-[4-[5-(1-methylcyclopropyl)-2-pyridinyl]morpholin-2-yl]acetate?
methyl 2-[4-[5-(1-methylcyclopropyl)-2-pyridinyl]morpholin-2-yl]acetate has a molecular weight of 290.36 g/mol, XLogP of 1.90, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-[5-(1-methylcyclopropyl)-2-pyridinyl]morpholin-2-yl]acetate is sourced from PubChem (CID 167896835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).