1-(3-methoxycarbonylpiperidine-1-carbonyl)piperidine-2-carboxylic acid

C14H22N2O5 — CID 115535285

IUPAC1-(3-methoxycarbonylpiperidine-1-carbonyl)piperidine-2-carboxylic acid
SMILESCOC(=O)C1CCCN(C(=O)N2CCCCC2C(=O)O)C1
InChIInChI=1S/C14H22N2O5/c1-21-13(19)10-5-4-7-15(9-10)14(20)16-8-3-2-6-11(16)12(17)18/h10-11H,2-9H2,1H3,(H,17,18)
InChIKeyWJLCJKOTIGICBA-UHFFFAOYSA-N
MW298.34 g/mol
LogP0.93
Rot. Bonds2

About 1-(3-methoxycarbonylpiperidine-1-carbonyl)piperidine-2-carboxylic acid

1-(3-methoxycarbonylpiperidine-1-carbonyl)piperidine-2-carboxylic acid (PubChem CID 115535285) has the molecular formula C14H22N2O5 and a molecular weight of 298.34 g/mol. Its IUPAC name is 1-(3-methoxycarbonylpiperidine-1-carbonyl)piperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(3-methoxycarbonylpiperidine-1-carbonyl)piperidine-2-carboxylic acid
PubChem CID115535285
Molecular FormulaC14H22N2O5
Molecular Weight298.34 g/mol
Exact Mass298.15
IUPAC Name1-(3-methoxycarbonylpiperidine-1-carbonyl)piperidine-2-carboxylic acid
SMILESCOC(=O)C1CCCN(C(=O)N2CCCCC2C(=O)O)C1
InChIInChI=1S/C14H22N2O5/c1-21-13(19)10-5-4-7-15(9-10)14(20)16-8-3-2-6-11(16)12(17)18/h10-11H,2-9H2,1H3,(H,17,18)
InChIKeyWJLCJKOTIGICBA-UHFFFAOYSA-N
XLogP0.93
TPSA87.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-1-(4-methoxycarbonylpiperidine-1-carbonyl)pyrrolidine-2-carboxylic acid
CID 78923051
methyl 1-(azepane-1-carbonyl)piperidine-3-carboxylate
CID 113330700
1-(pyrrolidine-1-carbonyl)azocane-2-carboxylic acid
CID 114239747
1-(2-methoxycarbonylpyrrolidine-1-carbonyl)pyrrolidine-2-carboxylic acid
CID 61199018
(2S)-1-(pyrrolidine-1-carbonyl)pyrrolidine-2-carboxylic acid
CID 28509820
(2R)-1-[3-(methoxymethyl)piperidine-1-carbonyl]pyrrolidine-2-carboxylic acid
CID 106588061
1-(3-methoxycarbonylpyrrolidine-1-carbonyl)-3-methylpiperidine-2-carboxylic acid
CID 107071779
1-(1-acetylpiperidine-3-carbonyl)piperidine-2-carboxylic acid
CID 43171073
(3R)-1-(4-methoxycarbonylpiperidine-1-carbonyl)piperidine-3-carboxylic acid
CID 81127706
(3S)-1-(3-methoxycarbonylmorpholine-4-carbonyl)piperidine-3-carboxylic acid
CID 104774795
1-(3,4-dihydroxypyrrolidine-1-carbonyl)azepane-2-carboxylic acid
CID 106670554
methyl 1-(piperidine-1-carbonyl)pyrrolidine-3-carboxylate
CID 112732527

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxycarbonylpiperidine-1-carbonyl)piperidine-2-carboxylic acid?
The IUPAC name of 1-(3-methoxycarbonylpiperidine-1-carbonyl)piperidine-2-carboxylic acid (CID 115535285) is 1-(3-methoxycarbonylpiperidine-1-carbonyl)piperidine-2-carboxylic acid.
What is the SMILES notation for 1-(3-methoxycarbonylpiperidine-1-carbonyl)piperidine-2-carboxylic acid?
The canonical SMILES for 1-(3-methoxycarbonylpiperidine-1-carbonyl)piperidine-2-carboxylic acid is COC(=O)C1CCCN(C(=O)N2CCCCC2C(=O)O)C1.
What is the InChIKey of 1-(3-methoxycarbonylpiperidine-1-carbonyl)piperidine-2-carboxylic acid?
The InChIKey is WJLCJKOTIGICBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O5/c1-21-13(19)10-5-4-7-15(9-10)14(20)16-8-3-2-6-11(16)12(17)18/h10-11H,2-9H2,1H3,(H,17,18).
What are the key properties of 1-(3-methoxycarbonylpiperidine-1-carbonyl)piperidine-2-carboxylic acid?
1-(3-methoxycarbonylpiperidine-1-carbonyl)piperidine-2-carboxylic acid has a molecular weight of 298.34 g/mol, XLogP of 0.93, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxycarbonylpiperidine-1-carbonyl)piperidine-2-carboxylic acid is sourced from PubChem (CID 115535285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).