(3R)-1-(2-ethylpiperidine-1-carbonyl)piperidine-3-carboxylic acid

C14H24N2O3 — CID 81120297

IUPAC(3R)-1-(2-ethylpiperidine-1-carbonyl)piperidine-3-carboxylic acid
SMILESCCC1CCCCN1C(=O)N1CCC[C@@H](C(=O)O)C1
InChIInChI=1S/C14H24N2O3/c1-2-12-7-3-4-9-16(12)14(19)15-8-5-6-11(10-15)13(17)18/h11-12H,2-10H2,1H3,(H,17,18)/t11-,12?/m1/s1
InChIKeyBEQPFEKMWSPOGU-JHJMLUEUSA-N
MW268.36 g/mol
LogP2.17
Rot. Bonds2

About (3R)-1-(2-ethylpiperidine-1-carbonyl)piperidine-3-carboxylic acid

(3R)-1-(2-ethylpiperidine-1-carbonyl)piperidine-3-carboxylic acid (PubChem CID 81120297) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is (3R)-1-(2-ethylpiperidine-1-carbonyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-1-(2-ethylpiperidine-1-carbonyl)piperidine-3-carboxylic acid
PubChem CID81120297
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC Name(3R)-1-(2-ethylpiperidine-1-carbonyl)piperidine-3-carboxylic acid
SMILESCCC1CCCCN1C(=O)N1CCC[C@@H](C(=O)O)C1
InChIInChI=1S/C14H24N2O3/c1-2-12-7-3-4-9-16(12)14(19)15-8-5-6-11(10-15)13(17)18/h11-12H,2-10H2,1H3,(H,17,18)/t11-,12?/m1/s1
InChIKeyBEQPFEKMWSPOGU-JHJMLUEUSA-N
XLogP2.17
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-1-(2-propylpiperidine-1-carbonyl)piperidine-3-carboxylic acid
CID 83055984
(3S)-1-[2-(hydroxymethyl)piperidine-1-carbonyl]piperidine-3-carboxylic acid
CID 81125270
1-[2-(hydroxymethyl)piperidine-1-carbonyl]piperidine-3-carboxylic acid
CID 61407742
(3S)-1-[2-(2-hydroxyethyl)piperidine-1-carbonyl]piperidine-3-carboxylic acid
CID 81126149
1-(2-methylpiperidine-1-carbonyl)piperidine-3-carboxylic acid
CID 43135680
(3S)-1-(5-ethyl-2-methylmorpholine-4-carbonyl)piperidine-3-carboxylic acid
CID 81126016
(3S)-1-(2-methylpyrrolidine-1-carbonyl)piperidine-3-carboxylic acid
CID 81126014
(2R)-1-(2-ethylpiperidine-1-carbonyl)pyrrolidine-2-carboxylic acid
CID 55150970
2-[1-(2-ethylpyrrolidine-1-carbonyl)piperidin-3-yl]-2-methylpropanoic acid
CID 83199688
(3R)-1-(2-cyclopentylpyrrolidine-1-carbonyl)piperidine-3-carboxylic acid
CID 81120757
cyclohexyl-[(2R)-2-ethylpiperidin-1-yl]methanone
CID 798108
(4-ethylpiperazin-1-yl)-(2-ethylpiperidin-1-yl)methanone
CID 108988506

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(2-ethylpiperidine-1-carbonyl)piperidine-3-carboxylic acid?
The IUPAC name of (3R)-1-(2-ethylpiperidine-1-carbonyl)piperidine-3-carboxylic acid (CID 81120297) is (3R)-1-(2-ethylpiperidine-1-carbonyl)piperidine-3-carboxylic acid.
What is the SMILES notation for (3R)-1-(2-ethylpiperidine-1-carbonyl)piperidine-3-carboxylic acid?
The canonical SMILES for (3R)-1-(2-ethylpiperidine-1-carbonyl)piperidine-3-carboxylic acid is CCC1CCCCN1C(=O)N1CCC[C@@H](C(=O)O)C1.
What is the InChIKey of (3R)-1-(2-ethylpiperidine-1-carbonyl)piperidine-3-carboxylic acid?
The InChIKey is BEQPFEKMWSPOGU-JHJMLUEUSA-N. The full InChI is InChI=1S/C14H24N2O3/c1-2-12-7-3-4-9-16(12)14(19)15-8-5-6-11(10-15)13(17)18/h11-12H,2-10H2,1H3,(H,17,18)/t11-,12?/m1/s1.
What are the key properties of (3R)-1-(2-ethylpiperidine-1-carbonyl)piperidine-3-carboxylic acid?
(3R)-1-(2-ethylpiperidine-1-carbonyl)piperidine-3-carboxylic acid has a molecular weight of 268.36 g/mol, XLogP of 2.17, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(2-ethylpiperidine-1-carbonyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 81120297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).