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

C14H22N2O5 — CID 43318327

IUPAC1-(4-methoxycarbonylpiperidine-1-carbonyl)piperidine-4-carboxylic acid
SMILESCOC(=O)C1CCN(C(=O)N2CCC(C(=O)O)CC2)CC1
InChIInChI=1S/C14H22N2O5/c1-21-13(19)11-4-8-16(9-5-11)14(20)15-6-2-10(3-7-15)12(17)18/h10-11H,2-9H2,1H3,(H,17,18)
InChIKeyPCQLHDTYABPSLZ-UHFFFAOYSA-N
MW298.34 g/mol
LogP0.79
Rot. Bonds2

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

1-(4-methoxycarbonylpiperidine-1-carbonyl)piperidine-4-carboxylic acid (PubChem CID 43318327) has the molecular formula C14H22N2O5 and a molecular weight of 298.34 g/mol. Its IUPAC name is 1-(4-methoxycarbonylpiperidine-1-carbonyl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(4-methoxycarbonylpiperidine-1-carbonyl)piperidine-4-carboxylic acid
PubChem CID43318327
Molecular FormulaC14H22N2O5
Molecular Weight298.34 g/mol
Exact Mass298.15
IUPAC Name1-(4-methoxycarbonylpiperidine-1-carbonyl)piperidine-4-carboxylic acid
SMILESCOC(=O)C1CCN(C(=O)N2CCC(C(=O)O)CC2)CC1
InChIInChI=1S/C14H22N2O5/c1-21-13(19)11-4-8-16(9-5-11)14(20)15-6-2-10(3-7-15)12(17)18/h10-11H,2-9H2,1H3,(H,17,18)
InChIKeyPCQLHDTYABPSLZ-UHFFFAOYSA-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

Ethyl 1-(dimethylcarbamoyl)piperidine-4-carboxylate
CID 1829960
1-(Methoxycarbonyl)piperidine-4-carboxylic acid
CID 1490569
Ethyl 1-[(diethylamino)carbonyl]-4-piperidinecarboxylate
CID 2989403
Methyl 1-(morpholine-4-carbonyl)piperidine-4-carboxylate
CID 652792
1-(Dimethylcarbamoyl)piperidine-4-carboxylic acid
CID 5076474
Ethyl 1-(morpholine-4-carbonyl)piperidine-4-carboxylate
CID 669644
1-[(1-Ethoxycarbonylpiperidin-4-yl)carbamoyl]piperidine-4-carboxylic acid
CID 127565071
Methyl 1-[(diethylamino)carbonyl]-4-piperidinecarboxylate
CID 2987642
1-[3-(Trifluoromethyl)piperidine-1-carbonyl]piperidine-4-carboxylic acid
CID 65530013
1-[4-(Trifluoromethyl)piperidine-1-carbonyl]piperidine-4-carboxylic acid
CID 65531183
1-[4-(2,2,2-Trifluoroacetyl)piperazine-1-carbonyl]piperidine-4-carboxylic acid
CID 165935612
Isonipecotic acid, N-(N'-methoxycarbonylisonipecotinoyl)-, methyl ester
CID 91732505

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxycarbonylpiperidine-1-carbonyl)piperidine-4-carboxylic acid?
The IUPAC name of 1-(4-methoxycarbonylpiperidine-1-carbonyl)piperidine-4-carboxylic acid (CID 43318327) is 1-(4-methoxycarbonylpiperidine-1-carbonyl)piperidine-4-carboxylic acid.
What is the SMILES notation for 1-(4-methoxycarbonylpiperidine-1-carbonyl)piperidine-4-carboxylic acid?
The canonical SMILES for 1-(4-methoxycarbonylpiperidine-1-carbonyl)piperidine-4-carboxylic acid is COC(=O)C1CCN(C(=O)N2CCC(C(=O)O)CC2)CC1.
What is the InChIKey of 1-(4-methoxycarbonylpiperidine-1-carbonyl)piperidine-4-carboxylic acid?
The InChIKey is PCQLHDTYABPSLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O5/c1-21-13(19)11-4-8-16(9-5-11)14(20)15-6-2-10(3-7-15)12(17)18/h10-11H,2-9H2,1H3,(H,17,18).
What are the key properties of 1-(4-methoxycarbonylpiperidine-1-carbonyl)piperidine-4-carboxylic acid?
1-(4-methoxycarbonylpiperidine-1-carbonyl)piperidine-4-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 1-(4-methoxycarbonylpiperidine-1-carbonyl)piperidine-4-carboxylic acid is sourced from PubChem (CID 43318327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).