2-[4-(3-methoxy-3-methylpiperidine-1-carbonyl)morpholin-3-yl]acetic acid

C14H24N2O5 — CID 107394034

IUPAC2-[4-(3-methoxy-3-methylpiperidine-1-carbonyl)morpholin-3-yl]acetic acid
SMILESCOC1(C)CCCN(C(=O)N2CCOCC2CC(=O)O)C1
InChIInChI=1S/C14H24N2O5/c1-14(20-2)4-3-5-15(10-14)13(19)16-6-7-21-9-11(16)8-12(17)18/h11H,3-10H2,1-2H3,(H,17,18)
InChIKeySGGNOBBFIBQUSN-UHFFFAOYSA-N
MW300.36 g/mol
LogP0.78
Rot. Bonds3

About 2-[4-(3-methoxy-3-methylpiperidine-1-carbonyl)morpholin-3-yl]acetic acid

2-[4-(3-methoxy-3-methylpiperidine-1-carbonyl)morpholin-3-yl]acetic acid (PubChem CID 107394034) has the molecular formula C14H24N2O5 and a molecular weight of 300.36 g/mol. Its IUPAC name is 2-[4-(3-methoxy-3-methylpiperidine-1-carbonyl)morpholin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(3-methoxy-3-methylpiperidine-1-carbonyl)morpholin-3-yl]acetic acid
PubChem CID107394034
Molecular FormulaC14H24N2O5
Molecular Weight300.36 g/mol
Exact Mass300.17
IUPAC Name2-[4-(3-methoxy-3-methylpiperidine-1-carbonyl)morpholin-3-yl]acetic acid
SMILESCOC1(C)CCCN(C(=O)N2CCOCC2CC(=O)O)C1
InChIInChI=1S/C14H24N2O5/c1-14(20-2)4-3-5-15(10-14)13(19)16-6-7-21-9-11(16)8-12(17)18/h11H,3-10H2,1-2H3,(H,17,18)
InChIKeySGGNOBBFIBQUSN-UHFFFAOYSA-N
XLogP0.78
TPSA79.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[3-(methoxymethyl)piperidine-1-carbonyl]morpholin-3-yl]acetic acid
CID 106588033
2-[4-(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)morpholin-3-yl]acetic acid
CID 114172612
2-[(3R)-4-[(1S)-2,2-dimethylcyclopropanecarbonyl]morpholin-3-yl]acetic acid
CID 129414261
2-[4-(3-hydroxy-4-methylpiperidine-1-carbonyl)morpholin-3-yl]acetic acid
CID 102961872
1-(3-methoxy-3-methylpiperidine-1-carbonyl)-4-methylpiperidine-2-carboxylic acid
CID 107394008
2-[4-[1-(aminomethyl)cyclobutanecarbonyl]morpholin-3-yl]acetic acid
CID 113311756
2-[1-(3-ethylmorpholine-4-carbonyl)azetidin-3-yl]acetic acid
CID 64617831
2-[4-[(2R)-oxolane-2-carbonyl]morpholin-3-yl]acetic acid
CID 104855859
2-[cyclopentyl-(3-methoxy-3-methylpiperidine-1-carbonyl)amino]acetic acid
CID 107393934
2-[4-(2,3,3a,4,5,6,7,7a-octahydroindole-1-carbonyl)morpholin-3-yl]acetic acid
CID 82753207
2-[4-[(2-methylthiolan-2-yl)methylcarbamoyl]morpholin-3-yl]acetic acid
CID 80742933
1-(3-methoxy-3-methylpiperidine-1-carbonyl)-5-oxopiperazine-2-carboxylic acid
CID 107439498

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-methoxy-3-methylpiperidine-1-carbonyl)morpholin-3-yl]acetic acid?
The IUPAC name of 2-[4-(3-methoxy-3-methylpiperidine-1-carbonyl)morpholin-3-yl]acetic acid (CID 107394034) is 2-[4-(3-methoxy-3-methylpiperidine-1-carbonyl)morpholin-3-yl]acetic acid.
What is the SMILES notation for 2-[4-(3-methoxy-3-methylpiperidine-1-carbonyl)morpholin-3-yl]acetic acid?
The canonical SMILES for 2-[4-(3-methoxy-3-methylpiperidine-1-carbonyl)morpholin-3-yl]acetic acid is COC1(C)CCCN(C(=O)N2CCOCC2CC(=O)O)C1.
What is the InChIKey of 2-[4-(3-methoxy-3-methylpiperidine-1-carbonyl)morpholin-3-yl]acetic acid?
The InChIKey is SGGNOBBFIBQUSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O5/c1-14(20-2)4-3-5-15(10-14)13(19)16-6-7-21-9-11(16)8-12(17)18/h11H,3-10H2,1-2H3,(H,17,18).
What are the key properties of 2-[4-(3-methoxy-3-methylpiperidine-1-carbonyl)morpholin-3-yl]acetic acid?
2-[4-(3-methoxy-3-methylpiperidine-1-carbonyl)morpholin-3-yl]acetic acid has a molecular weight of 300.36 g/mol, XLogP of 0.78, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-methoxy-3-methylpiperidine-1-carbonyl)morpholin-3-yl]acetic acid is sourced from PubChem (CID 107394034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).