1-(3,3-dimethylmorpholine-4-carbonyl)-4-ethylpiperidine-4-carboxylic acid

C15H26N2O4 — CID 63127056

IUPAC1-(3,3-dimethylmorpholine-4-carbonyl)-4-ethylpiperidine-4-carboxylic acid
SMILESCCC1(C(=O)O)CCN(C(=O)N2CCOCC2(C)C)CC1
InChIInChI=1S/C15H26N2O4/c1-4-15(12(18)19)5-7-16(8-6-15)13(20)17-9-10-21-11-14(17,2)3/h4-11H2,1-3H3,(H,18,19)
InChIKeyHIMBZYWIOYCSLU-UHFFFAOYSA-N
MW298.38 g/mol
LogP1.79
Rot. Bonds2

About 1-(3,3-dimethylmorpholine-4-carbonyl)-4-ethylpiperidine-4-carboxylic acid

1-(3,3-dimethylmorpholine-4-carbonyl)-4-ethylpiperidine-4-carboxylic acid (PubChem CID 63127056) has the molecular formula C15H26N2O4 and a molecular weight of 298.38 g/mol. Its IUPAC name is 1-(3,3-dimethylmorpholine-4-carbonyl)-4-ethylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(3,3-dimethylmorpholine-4-carbonyl)-4-ethylpiperidine-4-carboxylic acid
PubChem CID63127056
Molecular FormulaC15H26N2O4
Molecular Weight298.38 g/mol
Exact Mass298.19
IUPAC Name1-(3,3-dimethylmorpholine-4-carbonyl)-4-ethylpiperidine-4-carboxylic acid
SMILESCCC1(C(=O)O)CCN(C(=O)N2CCOCC2(C)C)CC1
InChIInChI=1S/C15H26N2O4/c1-4-15(12(18)19)5-7-16(8-6-15)13(20)17-9-10-21-11-14(17,2)3/h4-11H2,1-3H3,(H,18,19)
InChIKeyHIMBZYWIOYCSLU-UHFFFAOYSA-N
XLogP1.79
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,3-dimethylmorpholine-4-carbonyl)-4-(2-methylpropyl)piperidine-4-carboxylic acid
CID 166279333
1-(3,3-dimethylmorpholine-4-carbonyl)-4-methylpiperidine-4-carboxylic acid
CID 63124235
4-ethyl-1-(morpholine-4-carbonyl)piperidine-4-carboxylic acid
CID 63126334
(3,3-dimethylmorpholin-4-yl)-piperidin-1-ylmethanone
CID 115592934
4-ethyl-1-(1,4-oxazepane-4-carbonyl)piperidine-4-carboxylic acid
CID 63127462
(3,3-dimethylmorpholin-4-yl)-(4-methylpiperidin-1-yl)methanone
CID 116654559
1-(3,3-dimethylmorpholine-4-carbonyl)-4-methylpyrrolidine-3-carboxylic acid
CID 55230340
1-(3,3-dimethylmorpholin-4-yl)-2-ethylsulfonylethanone
CID 48521830
3-ethyloxolane-3-carboxylic acid
CID 62740785
1-[(3,3-dimethylmorpholin-4-yl)methyl]cyclopentane-1-carboxylic acid
CID 62271993
4-ethylazepane-1,4-dicarboxylic acid
CID 123426716
N-ethyl-N,3,3-trimethylmorpholine-4-carboxamide
CID 116654558

Frequently Asked Questions

What is the IUPAC name of 1-(3,3-dimethylmorpholine-4-carbonyl)-4-ethylpiperidine-4-carboxylic acid?
The IUPAC name of 1-(3,3-dimethylmorpholine-4-carbonyl)-4-ethylpiperidine-4-carboxylic acid (CID 63127056) is 1-(3,3-dimethylmorpholine-4-carbonyl)-4-ethylpiperidine-4-carboxylic acid.
What is the SMILES notation for 1-(3,3-dimethylmorpholine-4-carbonyl)-4-ethylpiperidine-4-carboxylic acid?
The canonical SMILES for 1-(3,3-dimethylmorpholine-4-carbonyl)-4-ethylpiperidine-4-carboxylic acid is CCC1(C(=O)O)CCN(C(=O)N2CCOCC2(C)C)CC1.
What is the InChIKey of 1-(3,3-dimethylmorpholine-4-carbonyl)-4-ethylpiperidine-4-carboxylic acid?
The InChIKey is HIMBZYWIOYCSLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O4/c1-4-15(12(18)19)5-7-16(8-6-15)13(20)17-9-10-21-11-14(17,2)3/h4-11H2,1-3H3,(H,18,19).
What are the key properties of 1-(3,3-dimethylmorpholine-4-carbonyl)-4-ethylpiperidine-4-carboxylic acid?
1-(3,3-dimethylmorpholine-4-carbonyl)-4-ethylpiperidine-4-carboxylic acid has a molecular weight of 298.38 g/mol, XLogP of 1.79, 2 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-ethylpiperidine-4-carboxylic acid is sourced from PubChem (CID 63127056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).