2-[1-[(3-methoxy-3-oxopropyl)-methylcarbamoyl]piperidin-4-yl]oxyacetic acid

C13H22N2O6 — CID 63875250

IUPAC2-[1-[(3-methoxy-3-oxopropyl)-methylcarbamoyl]piperidin-4-yl]oxyacetic acid
SMILESCOC(=O)CCN(C)C(=O)N1CCC(OCC(=O)O)CC1
InChIInChI=1S/C13H22N2O6/c1-14(6-5-12(18)20-2)13(19)15-7-3-10(4-8-15)21-9-11(16)17/h10H,3-9H2,1-2H3,(H,16,17)
InChIKeyXOLTUXSDBMKSDS-UHFFFAOYSA-N
MW302.33 g/mol
LogP0.17
Rot. Bonds6

About 2-[1-[(3-methoxy-3-oxopropyl)-methylcarbamoyl]piperidin-4-yl]oxyacetic acid

2-[1-[(3-methoxy-3-oxopropyl)-methylcarbamoyl]piperidin-4-yl]oxyacetic acid (PubChem CID 63875250) has the molecular formula C13H22N2O6 and a molecular weight of 302.33 g/mol. Its IUPAC name is 2-[1-[(3-methoxy-3-oxopropyl)-methylcarbamoyl]piperidin-4-yl]oxyacetic acid.

Molecular Properties

Compound Name2-[1-[(3-methoxy-3-oxopropyl)-methylcarbamoyl]piperidin-4-yl]oxyacetic acid
PubChem CID63875250
Molecular FormulaC13H22N2O6
Molecular Weight302.33 g/mol
Exact Mass302.15
IUPAC Name2-[1-[(3-methoxy-3-oxopropyl)-methylcarbamoyl]piperidin-4-yl]oxyacetic acid
SMILESCOC(=O)CCN(C)C(=O)N1CCC(OCC(=O)O)CC1
InChIInChI=1S/C13H22N2O6/c1-14(6-5-12(18)20-2)13(19)15-7-3-10(4-8-15)21-9-11(16)17/h10H,3-9H2,1-2H3,(H,16,17)
InChIKeyXOLTUXSDBMKSDS-UHFFFAOYSA-N
XLogP0.17
TPSA96.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-[(2-methoxy-2-oxoethyl)-methylcarbamoyl]piperidin-4-yl]oxyacetic acid
CID 63877473
3-[(4-methoxypiperidine-1-carbonyl)-methylamino]propanoic acid
CID 61199548
2-[1-[[2-(dimethylamino)-2-oxoethyl]-methylcarbamoyl]piperidin-4-yl]oxyacetic acid
CID 63875757
2-[1-[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]piperidin-4-yl]oxyacetic acid
CID 63876981
2-[1-[4-(dimethylamino)butan-2-ylcarbamoyl]piperidin-4-yl]oxyacetic acid
CID 63876453
2-[1-[2-methoxyethyl(propan-2-yl)carbamoyl]piperidin-4-yl]oxyacetic acid
CID 82939729
methyl 4-[methyl-(4-methylpiperidine-1-carbonyl)amino]butanoate
CID 79163753
4-[(4-methoxypiperidine-1-carbonyl)-methylamino]butanoic acid
CID 43373246
2-[1-(3-methoxypropanoyl)piperidin-4-yl]oxyacetic acid
CID 63869728
2-[1-[(3-methoxy-3-oxopropyl)-methylcarbamoyl]azetidin-3-yl]propanoic acid
CID 116683137
2-[1-[methyl(1H-1,2,4-triazol-5-ylmethyl)carbamoyl]piperidin-4-yl]oxyacetic acid
CID 64517526
2-[(3R)-1-[methyl(2-phenylethyl)carbamoyl]pyrrolidin-3-yl]oxyacetic acid
CID 166263459

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(3-methoxy-3-oxopropyl)-methylcarbamoyl]piperidin-4-yl]oxyacetic acid?
The IUPAC name of 2-[1-[(3-methoxy-3-oxopropyl)-methylcarbamoyl]piperidin-4-yl]oxyacetic acid (CID 63875250) is 2-[1-[(3-methoxy-3-oxopropyl)-methylcarbamoyl]piperidin-4-yl]oxyacetic acid.
What is the SMILES notation for 2-[1-[(3-methoxy-3-oxopropyl)-methylcarbamoyl]piperidin-4-yl]oxyacetic acid?
The canonical SMILES for 2-[1-[(3-methoxy-3-oxopropyl)-methylcarbamoyl]piperidin-4-yl]oxyacetic acid is COC(=O)CCN(C)C(=O)N1CCC(OCC(=O)O)CC1.
What is the InChIKey of 2-[1-[(3-methoxy-3-oxopropyl)-methylcarbamoyl]piperidin-4-yl]oxyacetic acid?
The InChIKey is XOLTUXSDBMKSDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O6/c1-14(6-5-12(18)20-2)13(19)15-7-3-10(4-8-15)21-9-11(16)17/h10H,3-9H2,1-2H3,(H,16,17).
What are the key properties of 2-[1-[(3-methoxy-3-oxopropyl)-methylcarbamoyl]piperidin-4-yl]oxyacetic acid?
2-[1-[(3-methoxy-3-oxopropyl)-methylcarbamoyl]piperidin-4-yl]oxyacetic acid has a molecular weight of 302.33 g/mol, XLogP of 0.17, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(3-methoxy-3-oxopropyl)-methylcarbamoyl]piperidin-4-yl]oxyacetic acid is sourced from PubChem (CID 63875250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).