4-ethyl-1-[2-hydroxypropyl(methyl)carbamoyl]piperidine-4-carboxylic acid

C13H24N2O4 — CID 63127367

IUPAC4-ethyl-1-[2-hydroxypropyl(methyl)carbamoyl]piperidine-4-carboxylic acid
SMILESCCC1(C(=O)O)CCN(C(=O)N(C)CC(C)O)CC1
InChIInChI=1S/C13H24N2O4/c1-4-13(11(17)18)5-7-15(8-6-13)12(19)14(3)9-10(2)16/h10,16H,4-9H2,1-3H3,(H,17,18)
InChIKeyYHCQTXLKRZPHPF-UHFFFAOYSA-N
MW272.34 g/mol
LogP1.00
Rot. Bonds4

About 4-ethyl-1-[2-hydroxypropyl(methyl)carbamoyl]piperidine-4-carboxylic acid

4-ethyl-1-[2-hydroxypropyl(methyl)carbamoyl]piperidine-4-carboxylic acid (PubChem CID 63127367) has the molecular formula C13H24N2O4 and a molecular weight of 272.34 g/mol. Its IUPAC name is 4-ethyl-1-[2-hydroxypropyl(methyl)carbamoyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name4-ethyl-1-[2-hydroxypropyl(methyl)carbamoyl]piperidine-4-carboxylic acid
PubChem CID63127367
Molecular FormulaC13H24N2O4
Molecular Weight272.34 g/mol
Exact Mass272.17
IUPAC Name4-ethyl-1-[2-hydroxypropyl(methyl)carbamoyl]piperidine-4-carboxylic acid
SMILESCCC1(C(=O)O)CCN(C(=O)N(C)CC(C)O)CC1
InChIInChI=1S/C13H24N2O4/c1-4-13(11(17)18)5-7-15(8-6-13)12(19)14(3)9-10(2)16/h10,16H,4-9H2,1-3H3,(H,17,18)
InChIKeyYHCQTXLKRZPHPF-UHFFFAOYSA-N
XLogP1.00
TPSA81.08 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-ethyl-1-[methyl(pentan-2-yl)carbamoyl]piperidine-4-carboxylic acid
CID 63126538
4-hydroxy-N-(2-hydroxypropyl)-N,4-dimethylpiperidine-1-carboxamide
CID 163257337
3-ethyl-1-[2-hydroxyethyl(methyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 63149326
ethane;N-(2-hydroxypropyl)-N-methyl-1-oxa-6-azaspiro[2.5]octane-6-carboxamide
CID 163257240
1-[2-cyanopropyl(ethyl)carbamoyl]-4-ethylpiperidine-4-carboxylic acid
CID 63126944
1-[(3-ethoxy-3-oxopropyl)-methylcarbamoyl]-3-ethylpyrrolidine-3-carboxylic acid
CID 63148145
1-[(2-hydroxy-2-methylpropyl)-methylcarbamoyl]-4-propylpiperidine-4-carboxylic acid
CID 79379251
4-ethylazepane-1,4-dicarboxylic acid
CID 123426716
1-[2-(aminomethyl)-3-methylbutanoyl]-4-ethylpiperidine-4-carboxylic acid
CID 65228007
1-[(2R)-2-amino-4-methylpentanoyl]-4-ethylpiperidine-4-carboxylic acid
CID 104903454
4-ethyl-1-(morpholine-4-carbonyl)piperidine-4-carboxylic acid
CID 63126334
1-[2-hydroxyethyl(methyl)carbamoyl]-3-propylpyrrolidine-3-carboxylic acid
CID 63149367

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-[2-hydroxypropyl(methyl)carbamoyl]piperidine-4-carboxylic acid?
The IUPAC name of 4-ethyl-1-[2-hydroxypropyl(methyl)carbamoyl]piperidine-4-carboxylic acid (CID 63127367) is 4-ethyl-1-[2-hydroxypropyl(methyl)carbamoyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 4-ethyl-1-[2-hydroxypropyl(methyl)carbamoyl]piperidine-4-carboxylic acid?
The canonical SMILES for 4-ethyl-1-[2-hydroxypropyl(methyl)carbamoyl]piperidine-4-carboxylic acid is CCC1(C(=O)O)CCN(C(=O)N(C)CC(C)O)CC1.
What is the InChIKey of 4-ethyl-1-[2-hydroxypropyl(methyl)carbamoyl]piperidine-4-carboxylic acid?
The InChIKey is YHCQTXLKRZPHPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O4/c1-4-13(11(17)18)5-7-15(8-6-13)12(19)14(3)9-10(2)16/h10,16H,4-9H2,1-3H3,(H,17,18).
What are the key properties of 4-ethyl-1-[2-hydroxypropyl(methyl)carbamoyl]piperidine-4-carboxylic acid?
4-ethyl-1-[2-hydroxypropyl(methyl)carbamoyl]piperidine-4-carboxylic acid has a molecular weight of 272.34 g/mol, XLogP of 1.00, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-[2-hydroxypropyl(methyl)carbamoyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 63127367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).