4-ethyl-1-[(2R)-piperidine-2-carbonyl]piperidine-4-carboxylic acid

C14H24N2O3 — CID 104913902

IUPAC4-ethyl-1-[(2R)-piperidine-2-carbonyl]piperidine-4-carboxylic acid
SMILESCCC1(C(=O)O)CCN(C(=O)[C@H]2CCCCN2)CC1
InChIInChI=1S/C14H24N2O3/c1-2-14(13(18)19)6-9-16(10-7-14)12(17)11-5-3-4-8-15-11/h11,15H,2-10H2,1H3,(H,18,19)/t11-/m1/s1
InChIKeyZWQLFRMHLLJREQ-LLVKDONJSA-N
MW268.36 g/mol
LogP1.23
Rot. Bonds3

About 4-ethyl-1-[(2R)-piperidine-2-carbonyl]piperidine-4-carboxylic acid

4-ethyl-1-[(2R)-piperidine-2-carbonyl]piperidine-4-carboxylic acid (PubChem CID 104913902) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is 4-ethyl-1-[(2R)-piperidine-2-carbonyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name4-ethyl-1-[(2R)-piperidine-2-carbonyl]piperidine-4-carboxylic acid
PubChem CID104913902
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC Name4-ethyl-1-[(2R)-piperidine-2-carbonyl]piperidine-4-carboxylic acid
SMILESCCC1(C(=O)O)CCN(C(=O)[C@H]2CCCCN2)CC1
InChIInChI=1S/C14H24N2O3/c1-2-14(13(18)19)6-9-16(10-7-14)12(17)11-5-3-4-8-15-11/h11,15H,2-10H2,1H3,(H,18,19)/t11-/m1/s1
InChIKeyZWQLFRMHLLJREQ-LLVKDONJSA-N
XLogP1.23
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(azepane-2-carbonyl)-3-ethylpyrrolidine-3-carboxylic acid
CID 64570144
3-propyl-1-[(2R)-pyrrolidine-2-carbonyl]pyrrolidine-3-carboxylic acid
CID 104901135
(4,4-dimethylpiperidin-1-yl)-[(2R)-piperidin-2-yl]methanone
CID 94899369
4-ethyl-1-(4-ethylpiperidine-2-carbonyl)piperidine-4-carboxylic acid
CID 114428986
azepan-2-yl-(4,4-dimethylpiperidin-1-yl)methanone
CID 64571164
(4,4-dimethylpiperidin-1-yl)-piperidin-2-ylmethanone;hydrochloride
CID 119316184
1-[(2S)-piperidine-2-carbonyl]-3-propylpiperidine-3-carboxylic acid
CID 104913910
(4,4-dimethylazepan-1-yl)-[(2R)-piperidin-2-yl]methanone
CID 103812421
(4,4-difluoropiperidin-1-yl)-piperidin-2-ylmethanone
CID 116991084
4-ethyl-1-(2-methylpyrrolidine-3-carbonyl)piperidine-4-carboxylic acid
CID 79384911
3-propyl-1-(pyrrolidine-2-carbonyl)piperidine-3-carboxylic acid
CID 63138206
4-ethyl-1-[(3S)-piperidine-3-carbonyl]piperidine-4-carboxylic acid
CID 81141638

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-[(2R)-piperidine-2-carbonyl]piperidine-4-carboxylic acid?
The IUPAC name of 4-ethyl-1-[(2R)-piperidine-2-carbonyl]piperidine-4-carboxylic acid (CID 104913902) is 4-ethyl-1-[(2R)-piperidine-2-carbonyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 4-ethyl-1-[(2R)-piperidine-2-carbonyl]piperidine-4-carboxylic acid?
The canonical SMILES for 4-ethyl-1-[(2R)-piperidine-2-carbonyl]piperidine-4-carboxylic acid is CCC1(C(=O)O)CCN(C(=O)[C@H]2CCCCN2)CC1.
What is the InChIKey of 4-ethyl-1-[(2R)-piperidine-2-carbonyl]piperidine-4-carboxylic acid?
The InChIKey is ZWQLFRMHLLJREQ-LLVKDONJSA-N. The full InChI is InChI=1S/C14H24N2O3/c1-2-14(13(18)19)6-9-16(10-7-14)12(17)11-5-3-4-8-15-11/h11,15H,2-10H2,1H3,(H,18,19)/t11-/m1/s1.
What are the key properties of 4-ethyl-1-[(2R)-piperidine-2-carbonyl]piperidine-4-carboxylic acid?
4-ethyl-1-[(2R)-piperidine-2-carbonyl]piperidine-4-carboxylic acid has a molecular weight of 268.36 g/mol, XLogP of 1.23, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-[(2R)-piperidine-2-carbonyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 104913902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).