ethyl 2-(oxan-3-yl)-2-(piperidin-3-ylmethylamino)acetate

C15H28N2O3 — CID 120855797

IUPACethyl 2-(oxan-3-yl)-2-(piperidin-3-ylmethylamino)acetate
SMILESCCOC(=O)C(NCC1CCCNC1)C1CCCOC1
InChIInChI=1S/C15H28N2O3/c1-2-20-15(18)14(13-6-4-8-19-11-13)17-10-12-5-3-7-16-9-12/h12-14,16-17H,2-11H2,1H3
InChIKeyCOVPOSMOYBHITI-UHFFFAOYSA-N
MW284.40 g/mol
LogP0.93
Rot. Bonds6

About ethyl 2-(oxan-3-yl)-2-(piperidin-3-ylmethylamino)acetate

ethyl 2-(oxan-3-yl)-2-(piperidin-3-ylmethylamino)acetate (PubChem CID 120855797) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is ethyl 2-(oxan-3-yl)-2-(piperidin-3-ylmethylamino)acetate.

Molecular Properties

Compound Nameethyl 2-(oxan-3-yl)-2-(piperidin-3-ylmethylamino)acetate
PubChem CID120855797
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Nameethyl 2-(oxan-3-yl)-2-(piperidin-3-ylmethylamino)acetate
SMILESCCOC(=O)C(NCC1CCCNC1)C1CCCOC1
InChIInChI=1S/C15H28N2O3/c1-2-20-15(18)14(13-6-4-8-19-11-13)17-10-12-5-3-7-16-9-12/h12-14,16-17H,2-11H2,1H3
InChIKeyCOVPOSMOYBHITI-UHFFFAOYSA-N
XLogP0.93
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-(ethylamino)-2-(oxan-3-yl)acetate
CID 63740064
ethyl 2-(methylamino)-2-(oxan-3-yl)acetate
CID 63740066
ethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(oxan-3-yl)acetate
CID 71479909
ethyl (2S)-2-amino-2-[(3R)-oxan-3-yl]acetate
CID 96668920
ethyl (2R)-2-amino-2-[(3S)-oxan-3-yl]acetate
CID 96668917
ethyl 2-(cyclohexylamino)-2-(oxolan-3-yl)acetate
CID 54892505
methyl (2S)-2-(piperidin-3-ylmethylamino)propanoate
CID 80554034
ethyl 2-(piperidin-3-ylmethylamino)acetate
CID 80554026
N-(piperidin-3-ylmethyl)oxan-3-amine
CID 80555107
ethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-piperidin-3-ylacetate
CID 133061149
ethyl 2-[(2-amino-1,3-thiazol-5-yl)methylamino]-2-(oxan-3-yl)acetate;hydrochloride
CID 120905080
N-(oxan-3-yl)-2-piperidin-3-ylacetamide
CID 63361348

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(oxan-3-yl)-2-(piperidin-3-ylmethylamino)acetate?
The IUPAC name of ethyl 2-(oxan-3-yl)-2-(piperidin-3-ylmethylamino)acetate (CID 120855797) is ethyl 2-(oxan-3-yl)-2-(piperidin-3-ylmethylamino)acetate.
What is the SMILES notation for ethyl 2-(oxan-3-yl)-2-(piperidin-3-ylmethylamino)acetate?
The canonical SMILES for ethyl 2-(oxan-3-yl)-2-(piperidin-3-ylmethylamino)acetate is CCOC(=O)C(NCC1CCCNC1)C1CCCOC1.
What is the InChIKey of ethyl 2-(oxan-3-yl)-2-(piperidin-3-ylmethylamino)acetate?
The InChIKey is COVPOSMOYBHITI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-2-20-15(18)14(13-6-4-8-19-11-13)17-10-12-5-3-7-16-9-12/h12-14,16-17H,2-11H2,1H3.
What are the key properties of ethyl 2-(oxan-3-yl)-2-(piperidin-3-ylmethylamino)acetate?
ethyl 2-(oxan-3-yl)-2-(piperidin-3-ylmethylamino)acetate has a molecular weight of 284.40 g/mol, XLogP of 0.93, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(oxan-3-yl)-2-(piperidin-3-ylmethylamino)acetate is sourced from PubChem (CID 120855797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).