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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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).