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

C12H20N2O3 — CID 28512961

IUPAC1-(piperidine-1-carbonyl)piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)N2CCCCC2)CC1
InChIInChI=1S/C12H20N2O3/c15-11(16)10-4-8-14(9-5-10)12(17)13-6-2-1-3-7-13/h10H,1-9H2,(H,15,16)
InChIKeyWSHXDAFMFHMBPE-UHFFFAOYSA-N
MW240.30 g/mol
LogP1.39
Rot. Bonds1

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

1-(piperidine-1-carbonyl)piperidine-4-carboxylic acid (PubChem CID 28512961) has the molecular formula C12H20N2O3 and a molecular weight of 240.30 g/mol. Its IUPAC name is 1-(piperidine-1-carbonyl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(piperidine-1-carbonyl)piperidine-4-carboxylic acid
PubChem CID28512961
Molecular FormulaC12H20N2O3
Molecular Weight240.30 g/mol
Exact Mass240.15
IUPAC Name1-(piperidine-1-carbonyl)piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)N2CCCCC2)CC1
InChIInChI=1S/C12H20N2O3/c15-11(16)10-4-8-14(9-5-10)12(17)13-6-2-1-3-7-13/h10H,1-9H2,(H,15,16)
InChIKeyWSHXDAFMFHMBPE-UHFFFAOYSA-N
XLogP1.39
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-carbamoylpiperidine-4-carboxylic Acid
CID 3875700
1-(Dimethylcarbamoyl)piperidine-4-carboxylic acid
CID 5076474
1-(Methylcarbamoyl)piperidine-4-carboxylic acid
CID 43135697
1-(3-Methylbutylcarbamoyl)piperidine-4-carboxylic acid
CID 28513136
1-(Piperazine-1-carbonyl)piperidine-4-carboxylic acid hydrochloride
CID 42962337
Methyl 1-[(diethylamino)carbonyl]-4-piperidinecarboxylate
CID 2987642
1-(Butylcarbamoyl)piperidine-4-carboxylic acid
CID 16228478
1-(Pyrrolidine-1-carbonyl)piperidine-4-carboxylic acid
CID 28512952
1-[Ethyl(2,2,2-trifluoroethyl)carbamoyl]piperidine-4-carboxylic acid
CID 55010134
1-[Methyl(2,2,2-trifluoroethyl)carbamoyl]piperidine-4-carboxylic acid
CID 60890650
1-[Propyl(2,2,2-trifluoroethyl)carbamoyl]piperidine-4-carboxylic acid
CID 61607357
1-[3-(Trifluoromethyl)piperidine-1-carbonyl]piperidine-4-carboxylic acid
CID 65530013

Frequently Asked Questions

What is the IUPAC name of 1-(piperidine-1-carbonyl)piperidine-4-carboxylic acid?
The IUPAC name of 1-(piperidine-1-carbonyl)piperidine-4-carboxylic acid (CID 28512961) is 1-(piperidine-1-carbonyl)piperidine-4-carboxylic acid.
What is the SMILES notation for 1-(piperidine-1-carbonyl)piperidine-4-carboxylic acid?
The canonical SMILES for 1-(piperidine-1-carbonyl)piperidine-4-carboxylic acid is O=C(O)C1CCN(C(=O)N2CCCCC2)CC1.
What is the InChIKey of 1-(piperidine-1-carbonyl)piperidine-4-carboxylic acid?
The InChIKey is WSHXDAFMFHMBPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3/c15-11(16)10-4-8-14(9-5-10)12(17)13-6-2-1-3-7-13/h10H,1-9H2,(H,15,16).
What are the key properties of 1-(piperidine-1-carbonyl)piperidine-4-carboxylic acid?
1-(piperidine-1-carbonyl)piperidine-4-carboxylic acid has a molecular weight of 240.30 g/mol, XLogP of 1.39, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(piperidine-1-carbonyl)piperidine-4-carboxylic acid is sourced from PubChem (CID 28512961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).