(2R,3S)-N-[1-(2-methoxyethyl)piperidin-4-yl]-2-methylmorpholine-3-carboxamide

C14H27N3O3 — CID 120939904

IUPAC(2R,3S)-N-[1-(2-methoxyethyl)piperidin-4-yl]-2-methylmorpholine-3-carboxamide
SMILESCOCCN1CCC(NC(=O)[C@H]2NCCO[C@@H]2C)CC1
InChIInChI=1S/C14H27N3O3/c1-11-13(15-5-9-20-11)14(18)16-12-3-6-17(7-4-12)8-10-19-2/h11-13,15H,3-10H2,1-2H3,(H,16,18)/t11-,13+/m1/s1
InChIKeyUPFZCTMVJNEOQK-YPMHNXCESA-N
MW285.39 g/mol
LogP-0.41
Rot. Bonds5

About (2R,3S)-N-[1-(2-methoxyethyl)piperidin-4-yl]-2-methylmorpholine-3-carboxamide

(2R,3S)-N-[1-(2-methoxyethyl)piperidin-4-yl]-2-methylmorpholine-3-carboxamide (PubChem CID 120939904) has the molecular formula C14H27N3O3 and a molecular weight of 285.39 g/mol. Its IUPAC name is (2R,3S)-N-[1-(2-methoxyethyl)piperidin-4-yl]-2-methylmorpholine-3-carboxamide.

Molecular Properties

Compound Name(2R,3S)-N-[1-(2-methoxyethyl)piperidin-4-yl]-2-methylmorpholine-3-carboxamide
PubChem CID120939904
Molecular FormulaC14H27N3O3
Molecular Weight285.39 g/mol
Exact Mass285.21
IUPAC Name(2R,3S)-N-[1-(2-methoxyethyl)piperidin-4-yl]-2-methylmorpholine-3-carboxamide
SMILESCOCCN1CCC(NC(=O)[C@H]2NCCO[C@@H]2C)CC1
InChIInChI=1S/C14H27N3O3/c1-11-13(15-5-9-20-11)14(18)16-12-3-6-17(7-4-12)8-10-19-2/h11-13,15H,3-10H2,1-2H3,(H,16,18)/t11-,13+/m1/s1
InChIKeyUPFZCTMVJNEOQK-YPMHNXCESA-N
XLogP-0.41
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 5-0.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R,3S)-N-[1-(2-methoxyethyl)piperidin-4-yl]-2-methylmorpholine-3-carboxamide?
The IUPAC name of (2R,3S)-N-[1-(2-methoxyethyl)piperidin-4-yl]-2-methylmorpholine-3-carboxamide (CID 120939904) is (2R,3S)-N-[1-(2-methoxyethyl)piperidin-4-yl]-2-methylmorpholine-3-carboxamide.
What is the SMILES notation for (2R,3S)-N-[1-(2-methoxyethyl)piperidin-4-yl]-2-methylmorpholine-3-carboxamide?
The canonical SMILES for (2R,3S)-N-[1-(2-methoxyethyl)piperidin-4-yl]-2-methylmorpholine-3-carboxamide is COCCN1CCC(NC(=O)[C@H]2NCCO[C@@H]2C)CC1.
What is the InChIKey of (2R,3S)-N-[1-(2-methoxyethyl)piperidin-4-yl]-2-methylmorpholine-3-carboxamide?
The InChIKey is UPFZCTMVJNEOQK-YPMHNXCESA-N. The full InChI is InChI=1S/C14H27N3O3/c1-11-13(15-5-9-20-11)14(18)16-12-3-6-17(7-4-12)8-10-19-2/h11-13,15H,3-10H2,1-2H3,(H,16,18)/t11-,13+/m1/s1.
What are the key properties of (2R,3S)-N-[1-(2-methoxyethyl)piperidin-4-yl]-2-methylmorpholine-3-carboxamide?
(2R,3S)-N-[1-(2-methoxyethyl)piperidin-4-yl]-2-methylmorpholine-3-carboxamide has a molecular weight of 285.39 g/mol, XLogP of -0.41, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-N-[1-(2-methoxyethyl)piperidin-4-yl]-2-methylmorpholine-3-carboxamide is sourced from PubChem (CID 120939904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).