1-(4-methoxypiperidine-1-carbonyl)-4-methylpiperidine-2-carboxylic acid

C14H24N2O4 — CID 114425244

IUPAC1-(4-methoxypiperidine-1-carbonyl)-4-methylpiperidine-2-carboxylic acid
SMILESCOC1CCN(C(=O)N2CCC(C)CC2C(=O)O)CC1
InChIInChI=1S/C14H24N2O4/c1-10-3-8-16(12(9-10)13(17)18)14(19)15-6-4-11(20-2)5-7-15/h10-12H,3-9H2,1-2H3,(H,17,18)
InChIKeyAVHORAGBJUTJHY-UHFFFAOYSA-N
MW284.36 g/mol
LogP1.40
Rot. Bonds2

About 1-(4-methoxypiperidine-1-carbonyl)-4-methylpiperidine-2-carboxylic acid

1-(4-methoxypiperidine-1-carbonyl)-4-methylpiperidine-2-carboxylic acid (PubChem CID 114425244) has the molecular formula C14H24N2O4 and a molecular weight of 284.36 g/mol. Its IUPAC name is 1-(4-methoxypiperidine-1-carbonyl)-4-methylpiperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(4-methoxypiperidine-1-carbonyl)-4-methylpiperidine-2-carboxylic acid
PubChem CID114425244
Molecular FormulaC14H24N2O4
Molecular Weight284.36 g/mol
Exact Mass284.17
IUPAC Name1-(4-methoxypiperidine-1-carbonyl)-4-methylpiperidine-2-carboxylic acid
SMILESCOC1CCN(C(=O)N2CCC(C)CC2C(=O)O)CC1
InChIInChI=1S/C14H24N2O4/c1-10-3-8-16(12(9-10)13(17)18)14(19)15-6-4-11(20-2)5-7-15/h10-12H,3-9H2,1-2H3,(H,17,18)
InChIKeyAVHORAGBJUTJHY-UHFFFAOYSA-N
XLogP1.40
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-hydroxypiperidine-1-carbonyl)-4-methylpiperidine-2-carboxylic acid
CID 114425171
4-methyl-1-(4-methylazepane-1-carbonyl)piperidine-2-carboxylic acid
CID 114425581
(2R)-1-(4-methoxypiperidine-1-carbonyl)pyrrolidine-2-carboxylic acid
CID 78922853
1-(3-hydroxypyrrolidine-1-carbonyl)-4-methylpiperidine-2-carboxylic acid
CID 114425542
4-methyl-1-(8-oxa-3-azabicyclo[3.2.1]octane-3-carbonyl)piperidine-2-carboxylic acid
CID 114425695
1-(3-methoxy-3-methylpiperidine-1-carbonyl)-4-methylpiperidine-2-carboxylic acid
CID 107394008
1-(4-methoxypiperidine-1-carbonyl)-3-methylpiperidine-2-carboxylic acid
CID 107071317
4-methyl-1-(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)piperidine-2-carboxylic acid
CID 106315704
4-methoxy-1-(piperidine-1-carbonyl)pyrrolidine-2-carboxylic acid
CID 61180946
1-(3-methoxypyrrolidine-1-carbonyl)-2-methylpiperidine-4-carboxylic acid
CID 106744628
(2S,4S)-4-hydroxy-1-(4-methylazepane-1-carbonyl)pyrrolidine-2-carboxylic acid
CID 64713242
4-hydroxy-1-(4-methylazepane-1-carbonyl)pyrrolidine-2-carboxylic acid
CID 63625992

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxypiperidine-1-carbonyl)-4-methylpiperidine-2-carboxylic acid?
The IUPAC name of 1-(4-methoxypiperidine-1-carbonyl)-4-methylpiperidine-2-carboxylic acid (CID 114425244) is 1-(4-methoxypiperidine-1-carbonyl)-4-methylpiperidine-2-carboxylic acid.
What is the SMILES notation for 1-(4-methoxypiperidine-1-carbonyl)-4-methylpiperidine-2-carboxylic acid?
The canonical SMILES for 1-(4-methoxypiperidine-1-carbonyl)-4-methylpiperidine-2-carboxylic acid is COC1CCN(C(=O)N2CCC(C)CC2C(=O)O)CC1.
What is the InChIKey of 1-(4-methoxypiperidine-1-carbonyl)-4-methylpiperidine-2-carboxylic acid?
The InChIKey is AVHORAGBJUTJHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O4/c1-10-3-8-16(12(9-10)13(17)18)14(19)15-6-4-11(20-2)5-7-15/h10-12H,3-9H2,1-2H3,(H,17,18).
What are the key properties of 1-(4-methoxypiperidine-1-carbonyl)-4-methylpiperidine-2-carboxylic acid?
1-(4-methoxypiperidine-1-carbonyl)-4-methylpiperidine-2-carboxylic acid has a molecular weight of 284.36 g/mol, XLogP of 1.40, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxypiperidine-1-carbonyl)-4-methylpiperidine-2-carboxylic acid is sourced from PubChem (CID 114425244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).