3-[2-(hydroxymethyl)-5-methylmorpholine-4-carbonyl]piperidine-1-carboxamide

C13H23N3O4 — CID 81209250

IUPAC3-[2-(hydroxymethyl)-5-methylmorpholine-4-carbonyl]piperidine-1-carboxamide
SMILESCC1COC(CO)CN1C(=O)C1CCCN(C(N)=O)C1
InChIInChI=1S/C13H23N3O4/c1-9-8-20-11(7-17)6-16(9)12(18)10-3-2-4-15(5-10)13(14)19/h9-11,17H,2-8H2,1H3,(H2,14,19)
InChIKeyWDIALLHYBIBVHO-UHFFFAOYSA-N
MW285.34 g/mol
LogP-0.61
Rot. Bonds2

About 3-[2-(hydroxymethyl)-5-methylmorpholine-4-carbonyl]piperidine-1-carboxamide

3-[2-(hydroxymethyl)-5-methylmorpholine-4-carbonyl]piperidine-1-carboxamide (PubChem CID 81209250) has the molecular formula C13H23N3O4 and a molecular weight of 285.34 g/mol. Its IUPAC name is 3-[2-(hydroxymethyl)-5-methylmorpholine-4-carbonyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name3-[2-(hydroxymethyl)-5-methylmorpholine-4-carbonyl]piperidine-1-carboxamide
PubChem CID81209250
Molecular FormulaC13H23N3O4
Molecular Weight285.34 g/mol
Exact Mass285.17
IUPAC Name3-[2-(hydroxymethyl)-5-methylmorpholine-4-carbonyl]piperidine-1-carboxamide
SMILESCC1COC(CO)CN1C(=O)C1CCCN(C(N)=O)C1
InChIInChI=1S/C13H23N3O4/c1-9-8-20-11(7-17)6-16(9)12(18)10-3-2-4-15(5-10)13(14)19/h9-11,17H,2-8H2,1H3,(H2,14,19)
InChIKeyWDIALLHYBIBVHO-UHFFFAOYSA-N
XLogP-0.61
TPSA96.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 5-0.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-piperidin-1-ylmethanone
CID 81218847
[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-[(3S)-piperidin-3-yl]methanone
CID 81203650
[2-(chloromethyl)-5-methylmorpholin-4-yl]-cyclohexylmethanone
CID 81211556
cyclopent-3-en-1-yl-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone
CID 81208351
2-[1-[2-(hydroxymethyl)-5-methylmorpholine-4-carbonyl]piperidin-3-yl]acetic acid
CID 81198516
2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-2-oxoacetic acid
CID 81208191
[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-(oxolan-2-yl)methanone
CID 81208731
2-[2-(hydroxymethyl)-5-methylmorpholine-4-carbonyl]cyclopentane-1-carboxylic acid
CID 103978998
2-(hydroxymethyl)-5-methylmorpholine-4-carbothioamide
CID 81204075
3-[6-(hydroxymethyl)-2,2-dimethylmorpholine-4-carbonyl]piperidine-1-carboxamide
CID 114778938
(2-amino-6-methylcyclohexyl)-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone
CID 81213770
[4-(cyclohexanecarboximidoyl)-5-methylmorpholin-2-yl]methanol
CID 81212714

Frequently Asked Questions

What is the IUPAC name of 3-[2-(hydroxymethyl)-5-methylmorpholine-4-carbonyl]piperidine-1-carboxamide?
The IUPAC name of 3-[2-(hydroxymethyl)-5-methylmorpholine-4-carbonyl]piperidine-1-carboxamide (CID 81209250) is 3-[2-(hydroxymethyl)-5-methylmorpholine-4-carbonyl]piperidine-1-carboxamide.
What is the SMILES notation for 3-[2-(hydroxymethyl)-5-methylmorpholine-4-carbonyl]piperidine-1-carboxamide?
The canonical SMILES for 3-[2-(hydroxymethyl)-5-methylmorpholine-4-carbonyl]piperidine-1-carboxamide is CC1COC(CO)CN1C(=O)C1CCCN(C(N)=O)C1.
What is the InChIKey of 3-[2-(hydroxymethyl)-5-methylmorpholine-4-carbonyl]piperidine-1-carboxamide?
The InChIKey is WDIALLHYBIBVHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O4/c1-9-8-20-11(7-17)6-16(9)12(18)10-3-2-4-15(5-10)13(14)19/h9-11,17H,2-8H2,1H3,(H2,14,19).
What are the key properties of 3-[2-(hydroxymethyl)-5-methylmorpholine-4-carbonyl]piperidine-1-carboxamide?
3-[2-(hydroxymethyl)-5-methylmorpholine-4-carbonyl]piperidine-1-carboxamide has a molecular weight of 285.34 g/mol, XLogP of -0.61, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(hydroxymethyl)-5-methylmorpholine-4-carbonyl]piperidine-1-carboxamide is sourced from PubChem (CID 81209250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).