(3R)-1-[2-(diethylamino)ethylcarbamoyl]piperidine-3-carboxylic acid

C13H25N3O3 — CID 81119968

IUPAC(3R)-1-[2-(diethylamino)ethylcarbamoyl]piperidine-3-carboxylic acid
SMILESCCN(CC)CCNC(=O)N1CCC[C@@H](C(=O)O)C1
InChIInChI=1S/C13H25N3O3/c1-3-15(4-2)9-7-14-13(19)16-8-5-6-11(10-16)12(17)18/h11H,3-10H2,1-2H3,(H,14,19)(H,17,18)/t11-/m1/s1
InChIKeyXQBMMBXWQVZYEQ-LLVKDONJSA-N
MW271.36 g/mol
LogP0.83
Rot. Bonds6

About (3R)-1-[2-(diethylamino)ethylcarbamoyl]piperidine-3-carboxylic acid

(3R)-1-[2-(diethylamino)ethylcarbamoyl]piperidine-3-carboxylic acid (PubChem CID 81119968) has the molecular formula C13H25N3O3 and a molecular weight of 271.36 g/mol. Its IUPAC name is (3R)-1-[2-(diethylamino)ethylcarbamoyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-1-[2-(diethylamino)ethylcarbamoyl]piperidine-3-carboxylic acid
PubChem CID81119968
Molecular FormulaC13H25N3O3
Molecular Weight271.36 g/mol
Exact Mass271.19
IUPAC Name(3R)-1-[2-(diethylamino)ethylcarbamoyl]piperidine-3-carboxylic acid
SMILESCCN(CC)CCNC(=O)N1CCC[C@@H](C(=O)O)C1
InChIInChI=1S/C13H25N3O3/c1-3-15(4-2)9-7-14-13(19)16-8-5-6-11(10-16)12(17)18/h11H,3-10H2,1-2H3,(H,14,19)(H,17,18)/t11-/m1/s1
InChIKeyXQBMMBXWQVZYEQ-LLVKDONJSA-N
XLogP0.83
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-1-(2-acetamidoethylcarbamoyl)piperidine-3-carboxylic acid
CID 81125266
1-(2-ethylsulfonylethylcarbamoyl)piperidine-3-carboxylic acid
CID 114111695
1-(2-chloroethylcarbamoyl)piperidine-3-carboxylic acid
CID 16769399
(3S)-1-(2-methoxyethylcarbamoyl)piperidine-3-carboxylic acid
CID 28512077
1-[2-(carbamoylamino)ethylcarbamoyl]piperidine-3-carboxylic acid
CID 83113986
(3R)-1-[2-(carbamoylamino)ethylcarbamoyl]piperidine-3-carboxylic acid
CID 83114124
(3R)-1-[3-[methyl(propan-2-yl)amino]propylcarbamoyl]piperidine-3-carboxylic acid
CID 106039371
(3S)-1-(2-cyclopentylethylcarbamoyl)piperidine-3-carboxylic acid
CID 81125798
(3R)-1-(but-3-ynylcarbamoyl)piperidine-3-carboxylic acid
CID 81120069
(3R)-1-(5-methylhexylcarbamoyl)piperidine-3-carboxylic acid
CID 113287747
1-(2-pyrazol-1-ylethylcarbamoyl)piperidine-3-carboxylic acid
CID 61461167
(2S)-1-[2-(diethylamino)ethylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 78967793

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[2-(diethylamino)ethylcarbamoyl]piperidine-3-carboxylic acid?
The IUPAC name of (3R)-1-[2-(diethylamino)ethylcarbamoyl]piperidine-3-carboxylic acid (CID 81119968) is (3R)-1-[2-(diethylamino)ethylcarbamoyl]piperidine-3-carboxylic acid.
What is the SMILES notation for (3R)-1-[2-(diethylamino)ethylcarbamoyl]piperidine-3-carboxylic acid?
The canonical SMILES for (3R)-1-[2-(diethylamino)ethylcarbamoyl]piperidine-3-carboxylic acid is CCN(CC)CCNC(=O)N1CCC[C@@H](C(=O)O)C1.
What is the InChIKey of (3R)-1-[2-(diethylamino)ethylcarbamoyl]piperidine-3-carboxylic acid?
The InChIKey is XQBMMBXWQVZYEQ-LLVKDONJSA-N. The full InChI is InChI=1S/C13H25N3O3/c1-3-15(4-2)9-7-14-13(19)16-8-5-6-11(10-16)12(17)18/h11H,3-10H2,1-2H3,(H,14,19)(H,17,18)/t11-/m1/s1.
What are the key properties of (3R)-1-[2-(diethylamino)ethylcarbamoyl]piperidine-3-carboxylic acid?
(3R)-1-[2-(diethylamino)ethylcarbamoyl]piperidine-3-carboxylic acid has a molecular weight of 271.36 g/mol, XLogP of 0.83, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[2-(diethylamino)ethylcarbamoyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 81119968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).