4-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]-4-methylpiperidine-1-carboxylic acid

C14H24N2O4 — CID 156503700

IUPAC4-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]-4-methylpiperidine-1-carboxylic acid
SMILESC[C@@H]1CN(C(=O)C2(C)CCN(C(=O)O)CC2)C[C@H](C)O1
InChIInChI=1S/C14H24N2O4/c1-10-8-16(9-11(2)20-10)12(17)14(3)4-6-15(7-5-14)13(18)19/h10-11H,4-9H2,1-3H3,(H,18,19)/t10-,11+
InChIKeyDFZJTTZYOHTVHO-PHIMTYICSA-N
MW284.36 g/mol
LogP1.40
Rot. Bonds1

About 4-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]-4-methylpiperidine-1-carboxylic acid

4-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]-4-methylpiperidine-1-carboxylic acid (PubChem CID 156503700) has the molecular formula C14H24N2O4 and a molecular weight of 284.36 g/mol. Its IUPAC name is 4-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]-4-methylpiperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]-4-methylpiperidine-1-carboxylic acid
PubChem CID156503700
Molecular FormulaC14H24N2O4
Molecular Weight284.36 g/mol
Exact Mass284.17
IUPAC Name4-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]-4-methylpiperidine-1-carboxylic acid
SMILESC[C@@H]1CN(C(=O)C2(C)CCN(C(=O)O)CC2)C[C@H](C)O1
InChIInChI=1S/C14H24N2O4/c1-10-8-16(9-11(2)20-10)12(17)14(3)4-6-15(7-5-14)13(18)19/h10-11H,4-9H2,1-3H3,(H,18,19)/t10-,11+
InChIKeyDFZJTTZYOHTVHO-PHIMTYICSA-N
XLogP1.40
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-Boc-4-(morpholine-4-carbonyl)piperidine
CID 3238778
tert-butyl 4-(trifluoromethyl)-4-[(2S)-2-(trifluoromethyl)morpholine-4-carbonyl]piperidine-1-carboxylate
CID 176759476
tert-butyl 4-(trifluoromethyl)-4-[(2R)-2-(trifluoromethyl)morpholine-4-carbonyl]piperidine-1-carboxylate
CID 176759513
1-[4-(2,6-Dimethylmorpholine-4-carbonyl)piperidin-1-yl]-2-methylpropan-1-one
CID 42943799
2,2-Dimethyl-1-[4-(morpholin-4-ylcarbonyl)piperidin-1-yl]propan-1-one
CID 17224329
1-(4-Morpholin-4-ylbutyryl)piperidine-4-carboxylic acid
CID 17908768
tert-Butyl 4-cyano-4-(morpholin-4-ylcarbonyl)piperidine-1-carboxylate
CID 57803090
(2,6-Dimethylmorpholin-4-yl)-(4-methylpiperidin-4-yl)methanone
CID 63121486
4-Cyano-4-(morpholine-4-carbonyl)piperidine-1-carboxylic acid
CID 68814584
9-(2-Methoxyethyl)-3,9-diazaspiro[5.5]undecane-3-carboxylic acid
CID 68898785
[1-(2,2-Dimethylpropyl)piperidin-4-yl]-morpholin-4-ylmethanone
CID 89759545
[(2S,6R)-2,6-dimethylmorpholin-4-yl]-(4-methylpiperidin-4-yl)methanone
CID 113627487

Frequently Asked Questions

What is the IUPAC name of 4-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]-4-methylpiperidine-1-carboxylic acid?
The IUPAC name of 4-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]-4-methylpiperidine-1-carboxylic acid (CID 156503700) is 4-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]-4-methylpiperidine-1-carboxylic acid.
What is the SMILES notation for 4-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]-4-methylpiperidine-1-carboxylic acid?
The canonical SMILES for 4-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]-4-methylpiperidine-1-carboxylic acid is C[C@@H]1CN(C(=O)C2(C)CCN(C(=O)O)CC2)C[C@H](C)O1.
What is the InChIKey of 4-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]-4-methylpiperidine-1-carboxylic acid?
The InChIKey is DFZJTTZYOHTVHO-PHIMTYICSA-N. The full InChI is InChI=1S/C14H24N2O4/c1-10-8-16(9-11(2)20-10)12(17)14(3)4-6-15(7-5-14)13(18)19/h10-11H,4-9H2,1-3H3,(H,18,19)/t10-,11+.
What are the key properties of 4-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]-4-methylpiperidine-1-carboxylic acid?
4-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]-4-methylpiperidine-1-carboxylic acid has a molecular weight of 284.36 g/mol, XLogP of 1.40, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]-4-methylpiperidine-1-carboxylic acid is sourced from PubChem (CID 156503700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).