(3R)-1-(4-methoxycarbonylpiperidine-1-carbonyl)piperidine-3-carboxylic acid

C14H22N2O5 — CID 81127706

IUPAC(3R)-1-(4-methoxycarbonylpiperidine-1-carbonyl)piperidine-3-carboxylic acid
SMILESCOC(=O)C1CCN(C(=O)N2CCC[C@@H](C(=O)O)C2)CC1
InChIInChI=1S/C14H22N2O5/c1-21-13(19)10-4-7-15(8-5-10)14(20)16-6-2-3-11(9-16)12(17)18/h10-11H,2-9H2,1H3,(H,17,18)/t11-/m1/s1
InChIKeyGRZAZWFZWGUEJE-LLVKDONJSA-N
MW298.34 g/mol
LogP0.79
Rot. Bonds2

About (3R)-1-(4-methoxycarbonylpiperidine-1-carbonyl)piperidine-3-carboxylic acid

(3R)-1-(4-methoxycarbonylpiperidine-1-carbonyl)piperidine-3-carboxylic acid (PubChem CID 81127706) has the molecular formula C14H22N2O5 and a molecular weight of 298.34 g/mol. Its IUPAC name is (3R)-1-(4-methoxycarbonylpiperidine-1-carbonyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-1-(4-methoxycarbonylpiperidine-1-carbonyl)piperidine-3-carboxylic acid
PubChem CID81127706
Molecular FormulaC14H22N2O5
Molecular Weight298.34 g/mol
Exact Mass298.15
IUPAC Name(3R)-1-(4-methoxycarbonylpiperidine-1-carbonyl)piperidine-3-carboxylic acid
SMILESCOC(=O)C1CCN(C(=O)N2CCC[C@@H](C(=O)O)C2)CC1
InChIInChI=1S/C14H22N2O5/c1-21-13(19)10-4-7-15(8-5-10)14(20)16-6-2-3-11(9-16)12(17)18/h10-11H,2-9H2,1H3,(H,17,18)/t11-/m1/s1
InChIKeyGRZAZWFZWGUEJE-LLVKDONJSA-N
XLogP0.79
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 ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 1-(piperidine-1-carbonyl)pyrrolidine-3-carboxylate
CID 112732527
methyl 1-(azepane-1-carbonyl)piperidine-3-carboxylate
CID 113330700
methyl 1-(3-methylpiperidine-1-carbonyl)piperidine-4-carboxylate
CID 79162947
1-[1-(pyrrolidine-1-carbonyl)piperidine-3-carbonyl]piperidine-3-carboxylic acid
CID 119136251
1-(4-methylazepane-1-carbonyl)piperidine-3-carboxylic acid
CID 63627410
1-[4-(dimethylamino)piperidine-1-carbonyl]piperidine-3-carboxylic acid
CID 43586350
(3S)-1-(4-aminopiperidine-1-carbonyl)piperidine-3-carboxylic acid
CID 81125729
(3R)-1-(3-methoxy-4-methylpiperidine-1-carbonyl)piperidine-3-carboxylic acid
CID 102962808
(2R)-1-(4-methoxycarbonylpiperidine-1-carbonyl)pyrrolidine-2-carboxylic acid
CID 78923051
(3S)-1-(3,4-dimethylpyrrolidine-1-carbonyl)piperidine-3-carboxylic acid
CID 81123191
1-(3-methoxycarbonylpiperidine-1-carbonyl)piperidine-2-carboxylic acid
CID 115535285
1-(3-methoxycarbonylpiperidine-1-carbonyl)-3-methylpyrrolidine-3-carboxylic acid
CID 115535303

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(4-methoxycarbonylpiperidine-1-carbonyl)piperidine-3-carboxylic acid?
The IUPAC name of (3R)-1-(4-methoxycarbonylpiperidine-1-carbonyl)piperidine-3-carboxylic acid (CID 81127706) is (3R)-1-(4-methoxycarbonylpiperidine-1-carbonyl)piperidine-3-carboxylic acid.
What is the SMILES notation for (3R)-1-(4-methoxycarbonylpiperidine-1-carbonyl)piperidine-3-carboxylic acid?
The canonical SMILES for (3R)-1-(4-methoxycarbonylpiperidine-1-carbonyl)piperidine-3-carboxylic acid is COC(=O)C1CCN(C(=O)N2CCC[C@@H](C(=O)O)C2)CC1.
What is the InChIKey of (3R)-1-(4-methoxycarbonylpiperidine-1-carbonyl)piperidine-3-carboxylic acid?
The InChIKey is GRZAZWFZWGUEJE-LLVKDONJSA-N. The full InChI is InChI=1S/C14H22N2O5/c1-21-13(19)10-4-7-15(8-5-10)14(20)16-6-2-3-11(9-16)12(17)18/h10-11H,2-9H2,1H3,(H,17,18)/t11-/m1/s1.
What are the key properties of (3R)-1-(4-methoxycarbonylpiperidine-1-carbonyl)piperidine-3-carboxylic acid?
(3R)-1-(4-methoxycarbonylpiperidine-1-carbonyl)piperidine-3-carboxylic acid has a molecular weight of 298.34 g/mol, XLogP of 0.79, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(4-methoxycarbonylpiperidine-1-carbonyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 81127706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).