1-(2-acetamidoethyl)piperidine-3-carboxylic acid

C10H18N2O3 — CID 43385924

IUPAC1-(2-acetamidoethyl)piperidine-3-carboxylic acid
SMILESCC(=O)NCCN1CCCC(C(=O)O)C1
InChIInChI=1S/C10H18N2O3/c1-8(13)11-4-6-12-5-2-3-9(7-12)10(14)15/h9H,2-7H2,1H3,(H,11,13)(H,14,15)
InChIKeyLQJGYHVAORTOFR-UHFFFAOYSA-N
MW214.26 g/mol
LogP-0.08
Rot. Bonds4

About 1-(2-acetamidoethyl)piperidine-3-carboxylic acid

1-(2-acetamidoethyl)piperidine-3-carboxylic acid (PubChem CID 43385924) has the molecular formula C10H18N2O3 and a molecular weight of 214.26 g/mol. Its IUPAC name is 1-(2-acetamidoethyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(2-acetamidoethyl)piperidine-3-carboxylic acid
PubChem CID43385924
Molecular FormulaC10H18N2O3
Molecular Weight214.26 g/mol
Exact Mass214.13
IUPAC Name1-(2-acetamidoethyl)piperidine-3-carboxylic acid
SMILESCC(=O)NCCN1CCCC(C(=O)O)C1
InChIInChI=1S/C10H18N2O3/c1-8(13)11-4-6-12-5-2-3-9(7-12)10(14)15/h9H,2-7H2,1H3,(H,11,13)(H,14,15)
InChIKeyLQJGYHVAORTOFR-UHFFFAOYSA-N
XLogP-0.08
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 5-0.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-acetamidoethyl)pyrrolidine-3-carboxylic acid
CID 22322840
(3S)-1-(2-acetamidoethylcarbamoyl)piperidine-3-carboxylic acid
CID 81125266
(3S)-1-(3-acetamidopropanoyl)piperidine-3-carboxylic acid
CID 81125297
1-(3,3-difluorobutyl)piperidine-3-carboxylic acid
CID 84686575
N-[2-[(3R)-3-(4-phenoxybenzoyl)piperidin-1-yl]ethyl]acetamide
CID 95415351
1-(2-acetamidoethyl)-5-(cyclohexylamino)piperidine-3-carboxylic acid
CID 83999658
(3S)-1-(2-methoxyethyl)piperidine-3-carboxylic acid
CID 27440266
1-(2-ethylsulfonylethyl)piperidine-3-carboxylic acid
CID 43808023
N-[2-[3-(cyclopentylmethylamino)piperidin-1-yl]ethyl]acetamide
CID 83998270
1-(2-piperidin-1-ylethylcarbamoyl)pyrrolidine-3-carboxylic acid
CID 55149905
N-[2-[3-(cyclohexylmethylamino)piperidin-1-yl]ethyl]acetamide
CID 83998962
N-[2-[(3S)-3-(6-methoxynaphthalene-2-carbonyl)piperidin-1-yl]ethyl]acetamide
CID 97115600

Frequently Asked Questions

What is the IUPAC name of 1-(2-acetamidoethyl)piperidine-3-carboxylic acid?
The IUPAC name of 1-(2-acetamidoethyl)piperidine-3-carboxylic acid (CID 43385924) is 1-(2-acetamidoethyl)piperidine-3-carboxylic acid.
What is the SMILES notation for 1-(2-acetamidoethyl)piperidine-3-carboxylic acid?
The canonical SMILES for 1-(2-acetamidoethyl)piperidine-3-carboxylic acid is CC(=O)NCCN1CCCC(C(=O)O)C1.
What is the InChIKey of 1-(2-acetamidoethyl)piperidine-3-carboxylic acid?
The InChIKey is LQJGYHVAORTOFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O3/c1-8(13)11-4-6-12-5-2-3-9(7-12)10(14)15/h9H,2-7H2,1H3,(H,11,13)(H,14,15).
What are the key properties of 1-(2-acetamidoethyl)piperidine-3-carboxylic acid?
1-(2-acetamidoethyl)piperidine-3-carboxylic acid has a molecular weight of 214.26 g/mol, XLogP of -0.08, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-acetamidoethyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 43385924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).