1-(3,3-dimethylmorpholine-4-carbonyl)-4-(2-methylpropyl)piperidine-4-carboxylic acid

C17H30N2O4 — CID 166279333

IUPAC1-(3,3-dimethylmorpholine-4-carbonyl)-4-(2-methylpropyl)piperidine-4-carboxylic acid
SMILESCC(C)CC1(C(=O)O)CCN(C(=O)N2CCOCC2(C)C)CC1
InChIInChI=1S/C17H30N2O4/c1-13(2)11-17(14(20)21)5-7-18(8-6-17)15(22)19-9-10-23-12-16(19,3)4/h13H,5-12H2,1-4H3,(H,20,21)
InChIKeyZFHXBHDDTUNBAQ-UHFFFAOYSA-N
MW326.44 g/mol
LogP2.43
Rot. Bonds3

About 1-(3,3-dimethylmorpholine-4-carbonyl)-4-(2-methylpropyl)piperidine-4-carboxylic acid

1-(3,3-dimethylmorpholine-4-carbonyl)-4-(2-methylpropyl)piperidine-4-carboxylic acid (PubChem CID 166279333) has the molecular formula C17H30N2O4 and a molecular weight of 326.44 g/mol. Its IUPAC name is 1-(3,3-dimethylmorpholine-4-carbonyl)-4-(2-methylpropyl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(3,3-dimethylmorpholine-4-carbonyl)-4-(2-methylpropyl)piperidine-4-carboxylic acid
PubChem CID166279333
Molecular FormulaC17H30N2O4
Molecular Weight326.44 g/mol
Exact Mass326.22
IUPAC Name1-(3,3-dimethylmorpholine-4-carbonyl)-4-(2-methylpropyl)piperidine-4-carboxylic acid
SMILESCC(C)CC1(C(=O)O)CCN(C(=O)N2CCOCC2(C)C)CC1
InChIInChI=1S/C17H30N2O4/c1-13(2)11-17(14(20)21)5-7-18(8-6-17)15(22)19-9-10-23-12-16(19,3)4/h13H,5-12H2,1-4H3,(H,20,21)
InChIKeyZFHXBHDDTUNBAQ-UHFFFAOYSA-N
XLogP2.43
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,3-dimethylmorpholine-4-carbonyl)-4-ethylpiperidine-4-carboxylic acid
CID 63127056
1-(3,3-dimethylmorpholine-4-carbonyl)-4-methylpiperidine-4-carboxylic acid
CID 63124235
(3,3-dimethylmorpholin-4-yl)-piperidin-1-ylmethanone
CID 115592934
(3,3-dimethylmorpholin-4-yl)-(4-methylpiperidin-1-yl)methanone
CID 116654559
4-ethyl-1-(morpholine-4-carbonyl)piperidine-4-carboxylic acid
CID 63126334
1-(3,3-dimethylmorpholine-4-carbonyl)-4-methylpyrrolidine-3-carboxylic acid
CID 55230340
(2R)-1-(3,3-dimethylmorpholin-4-yl)-2-hydroxypropan-1-one
CID 126987422
2-amino-1-(3,3-dimethylmorpholin-4-yl)-4-methylpentan-1-one
CID 61430745
(2R)-2-amino-1-(3,3-dimethylmorpholin-4-yl)propan-1-one
CID 78973108
2-[(3,3-dimethylmorpholine-4-carbonyl)amino]-4-methylpentanoic acid
CID 61428446
1-[(3,3-dimethylmorpholin-4-yl)methyl]cyclopentane-1-carboxylic acid
CID 62271993
4-ethyl-1-(1,4-oxazepane-4-carbonyl)piperidine-4-carboxylic acid
CID 63127462

Frequently Asked Questions

What is the IUPAC name of 1-(3,3-dimethylmorpholine-4-carbonyl)-4-(2-methylpropyl)piperidine-4-carboxylic acid?
The IUPAC name of 1-(3,3-dimethylmorpholine-4-carbonyl)-4-(2-methylpropyl)piperidine-4-carboxylic acid (CID 166279333) is 1-(3,3-dimethylmorpholine-4-carbonyl)-4-(2-methylpropyl)piperidine-4-carboxylic acid.
What is the SMILES notation for 1-(3,3-dimethylmorpholine-4-carbonyl)-4-(2-methylpropyl)piperidine-4-carboxylic acid?
The canonical SMILES for 1-(3,3-dimethylmorpholine-4-carbonyl)-4-(2-methylpropyl)piperidine-4-carboxylic acid is CC(C)CC1(C(=O)O)CCN(C(=O)N2CCOCC2(C)C)CC1.
What is the InChIKey of 1-(3,3-dimethylmorpholine-4-carbonyl)-4-(2-methylpropyl)piperidine-4-carboxylic acid?
The InChIKey is ZFHXBHDDTUNBAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O4/c1-13(2)11-17(14(20)21)5-7-18(8-6-17)15(22)19-9-10-23-12-16(19,3)4/h13H,5-12H2,1-4H3,(H,20,21).
What are the key properties of 1-(3,3-dimethylmorpholine-4-carbonyl)-4-(2-methylpropyl)piperidine-4-carboxylic acid?
1-(3,3-dimethylmorpholine-4-carbonyl)-4-(2-methylpropyl)piperidine-4-carboxylic acid has a molecular weight of 326.44 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-dimethylmorpholine-4-carbonyl)-4-(2-methylpropyl)piperidine-4-carboxylic acid is sourced from PubChem (CID 166279333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).