1-(3-methoxypiperidine-1-carbonyl)-2-methylpiperidine-4-carboxylic acid

C14H24N2O4 — CID 106744619

IUPAC1-(3-methoxypiperidine-1-carbonyl)-2-methylpiperidine-4-carboxylic acid
SMILESCOC1CCCN(C(=O)N2CCC(C(=O)O)CC2C)C1
InChIInChI=1S/C14H24N2O4/c1-10-8-11(13(17)18)5-7-16(10)14(19)15-6-3-4-12(9-15)20-2/h10-12H,3-9H2,1-2H3,(H,17,18)
InChIKeyPYDUBBZBABVSDV-UHFFFAOYSA-N
MW284.36 g/mol
LogP1.40
Rot. Bonds2

About 1-(3-methoxypiperidine-1-carbonyl)-2-methylpiperidine-4-carboxylic acid

1-(3-methoxypiperidine-1-carbonyl)-2-methylpiperidine-4-carboxylic acid (PubChem CID 106744619) has the molecular formula C14H24N2O4 and a molecular weight of 284.36 g/mol. Its IUPAC name is 1-(3-methoxypiperidine-1-carbonyl)-2-methylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(3-methoxypiperidine-1-carbonyl)-2-methylpiperidine-4-carboxylic acid
PubChem CID106744619
Molecular FormulaC14H24N2O4
Molecular Weight284.36 g/mol
Exact Mass284.17
IUPAC Name1-(3-methoxypiperidine-1-carbonyl)-2-methylpiperidine-4-carboxylic acid
SMILESCOC1CCCN(C(=O)N2CCC(C(=O)O)CC2C)C1
InChIInChI=1S/C14H24N2O4/c1-10-8-11(13(17)18)5-7-16(10)14(19)15-6-3-4-12(9-15)20-2/h10-12H,3-9H2,1-2H3,(H,17,18)
InChIKeyPYDUBBZBABVSDV-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-(3-methoxypyrrolidine-1-carbonyl)-2-methylpiperidine-4-carboxylic acid
CID 106744628
4-ethyl-1-(3-methoxypiperidine-1-carbonyl)piperidine-2-carboxylic acid
CID 102963044
1-(2-methoxycarbonylpyrrolidine-1-carbonyl)-2-methylpiperidine-4-carboxylic acid
CID 106743978
2-(3-methoxypiperidine-1-carbonyl)cyclobutane-1-carboxylic acid
CID 120975154
1-(3,3-dimethylpiperidine-1-carbonyl)-2-methylpiperidine-4-carboxylic acid
CID 106744342
(3S)-1-(2-methylpyrrolidine-1-carbonyl)piperidine-3-carboxylic acid
CID 81126014
1-[4-(hydroxymethyl)piperidine-1-carbonyl]-2-methylpiperidine-4-carboxylic acid
CID 106743942
3-methoxypiperidine-1-carbonyl chloride
CID 102969135
1-(2-methylpiperidine-1-carbonyl)piperidine-3-carboxylic acid
CID 43135680
(2,4-dimethylpiperidin-1-yl)-(3-methylpiperidin-1-yl)methanone
CID 116655527
1-(3,5-dioxopiperazine-1-carbonyl)-2-methylpiperidine-4-carboxylic acid
CID 106744401
1-(2-carbamoylpyrrolidine-1-carbonyl)-2-methylpiperidine-4-carboxylic acid
CID 106743936

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxypiperidine-1-carbonyl)-2-methylpiperidine-4-carboxylic acid?
The IUPAC name of 1-(3-methoxypiperidine-1-carbonyl)-2-methylpiperidine-4-carboxylic acid (CID 106744619) is 1-(3-methoxypiperidine-1-carbonyl)-2-methylpiperidine-4-carboxylic acid.
What is the SMILES notation for 1-(3-methoxypiperidine-1-carbonyl)-2-methylpiperidine-4-carboxylic acid?
The canonical SMILES for 1-(3-methoxypiperidine-1-carbonyl)-2-methylpiperidine-4-carboxylic acid is COC1CCCN(C(=O)N2CCC(C(=O)O)CC2C)C1.
What is the InChIKey of 1-(3-methoxypiperidine-1-carbonyl)-2-methylpiperidine-4-carboxylic acid?
The InChIKey is PYDUBBZBABVSDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O4/c1-10-8-11(13(17)18)5-7-16(10)14(19)15-6-3-4-12(9-15)20-2/h10-12H,3-9H2,1-2H3,(H,17,18).
What are the key properties of 1-(3-methoxypiperidine-1-carbonyl)-2-methylpiperidine-4-carboxylic acid?
1-(3-methoxypiperidine-1-carbonyl)-2-methylpiperidine-4-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-(3-methoxypiperidine-1-carbonyl)-2-methylpiperidine-4-carboxylic acid is sourced from PubChem (CID 106744619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).