3-ethyl-1-[2-(hydroxymethyl)piperidine-1-carbonyl]piperidine-3-carboxylic acid

C15H26N2O4 — CID 63136615

IUPAC3-ethyl-1-[2-(hydroxymethyl)piperidine-1-carbonyl]piperidine-3-carboxylic acid
SMILESCCC1(C(=O)O)CCCN(C(=O)N2CCCCC2CO)C1
InChIInChI=1S/C15H26N2O4/c1-2-15(13(19)20)7-5-8-16(11-15)14(21)17-9-4-3-6-12(17)10-18/h12,18H,2-11H2,1H3,(H,19,20)
InChIKeyJXXNARIEQREHPA-UHFFFAOYSA-N
MW298.38 g/mol
LogP1.53
Rot. Bonds3

About 3-ethyl-1-[2-(hydroxymethyl)piperidine-1-carbonyl]piperidine-3-carboxylic acid

3-ethyl-1-[2-(hydroxymethyl)piperidine-1-carbonyl]piperidine-3-carboxylic acid (PubChem CID 63136615) has the molecular formula C15H26N2O4 and a molecular weight of 298.38 g/mol. Its IUPAC name is 3-ethyl-1-[2-(hydroxymethyl)piperidine-1-carbonyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name3-ethyl-1-[2-(hydroxymethyl)piperidine-1-carbonyl]piperidine-3-carboxylic acid
PubChem CID63136615
Molecular FormulaC15H26N2O4
Molecular Weight298.38 g/mol
Exact Mass298.19
IUPAC Name3-ethyl-1-[2-(hydroxymethyl)piperidine-1-carbonyl]piperidine-3-carboxylic acid
SMILESCCC1(C(=O)O)CCCN(C(=O)N2CCCCC2CO)C1
InChIInChI=1S/C15H26N2O4/c1-2-15(13(19)20)7-5-8-16(11-15)14(21)17-9-4-3-6-12(17)10-18/h12,18H,2-11H2,1H3,(H,19,20)
InChIKeyJXXNARIEQREHPA-UHFFFAOYSA-N
XLogP1.53
TPSA81.08 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(hydroxymethyl)azepane-1-carbonyl]-3-methylpiperidine-3-carboxylic acid
CID 116635552
1-(3,5-dimethylpiperidine-1-carbonyl)-3-ethylpiperidine-3-carboxylic acid
CID 63135824
1-(2-methylpyrrolidine-1-carbonyl)-3-propylpiperidine-3-carboxylic acid
CID 63135804
3-ethyl-1-(4-methylpiperazine-1-carbonyl)piperidine-3-carboxylic acid
CID 63138089
1-(1,4-diazepane-1-carbonyl)-3-ethylpiperidine-3-carboxylic acid
CID 63136520
2-ethyl-1-[2-(hydroxymethyl)pyrrolidine-1-carbonyl]pyrrolidine-2-carboxylic acid
CID 83071062
(3R)-1-(cyclopentanecarbonyl)-3-propylpiperidine-3-carboxylic acid
CID 95017480
1-[cyclopropylmethyl(methyl)carbamoyl]-3-ethylpiperidine-3-carboxylic acid
CID 55164151
3-ethyl-1-[methyl(piperidin-4-yl)carbamoyl]piperidine-3-carboxylic acid
CID 63136382
(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
1-(2-cyclopropylpropanoyl)-3-ethylpiperidine-3-carboxylic acid
CID 83147613

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-[2-(hydroxymethyl)piperidine-1-carbonyl]piperidine-3-carboxylic acid?
The IUPAC name of 3-ethyl-1-[2-(hydroxymethyl)piperidine-1-carbonyl]piperidine-3-carboxylic acid (CID 63136615) is 3-ethyl-1-[2-(hydroxymethyl)piperidine-1-carbonyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 3-ethyl-1-[2-(hydroxymethyl)piperidine-1-carbonyl]piperidine-3-carboxylic acid?
The canonical SMILES for 3-ethyl-1-[2-(hydroxymethyl)piperidine-1-carbonyl]piperidine-3-carboxylic acid is CCC1(C(=O)O)CCCN(C(=O)N2CCCCC2CO)C1.
What is the InChIKey of 3-ethyl-1-[2-(hydroxymethyl)piperidine-1-carbonyl]piperidine-3-carboxylic acid?
The InChIKey is JXXNARIEQREHPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O4/c1-2-15(13(19)20)7-5-8-16(11-15)14(21)17-9-4-3-6-12(17)10-18/h12,18H,2-11H2,1H3,(H,19,20).
What are the key properties of 3-ethyl-1-[2-(hydroxymethyl)piperidine-1-carbonyl]piperidine-3-carboxylic acid?
3-ethyl-1-[2-(hydroxymethyl)piperidine-1-carbonyl]piperidine-3-carboxylic acid has a molecular weight of 298.38 g/mol, XLogP of 1.53, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-[2-(hydroxymethyl)piperidine-1-carbonyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 63136615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).