1-(2-anilino-2-oxoethyl)piperidine-2-carboxylic acid

C14H18N2O3 — CID 43441072

IUPAC1-(2-anilino-2-oxoethyl)piperidine-2-carboxylic acid
SMILESO=C(CN1CCCCC1C(=O)O)Nc1ccccc1
InChIInChI=1S/C14H18N2O3/c17-13(15-11-6-2-1-3-7-11)10-16-9-5-4-8-12(16)14(18)19/h1-3,6-7,12H,4-5,8-10H2,(H,15,17)(H,18,19)
InChIKeyQQFFXXOBGQXTNJ-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.56
Rot. Bonds4

About 1-(2-anilino-2-oxoethyl)piperidine-2-carboxylic acid

1-(2-anilino-2-oxoethyl)piperidine-2-carboxylic acid (PubChem CID 43441072) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is 1-(2-anilino-2-oxoethyl)piperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(2-anilino-2-oxoethyl)piperidine-2-carboxylic acid
PubChem CID43441072
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name1-(2-anilino-2-oxoethyl)piperidine-2-carboxylic acid
SMILESO=C(CN1CCCCC1C(=O)O)Nc1ccccc1
InChIInChI=1S/C14H18N2O3/c17-13(15-11-6-2-1-3-7-11)10-16-9-5-4-8-12(16)14(18)19/h1-3,6-7,12H,4-5,8-10H2,(H,15,17)(H,18,19)
InChIKeyQQFFXXOBGQXTNJ-UHFFFAOYSA-N
XLogP1.56
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(4-carbamoylanilino)-2-oxoethyl]piperidine-2-carboxylic acid
CID 122558058
1-[2-(2-fluoroanilino)-2-oxoethyl]azepane-2-carboxylic acid
CID 64563162
1-[2-(2-iodoanilino)-2-oxoethyl]azepane-2-carboxylic acid
CID 64564340
1-[2-(4-acetylanilino)-2-oxoethyl]pyrrolidine-2-carboxylic acid
CID 43442043
2-[2-(aminomethyl)piperidin-1-yl]-N-phenylacetamide
CID 43186987
1-[2-(4-methoxyanilino)-2-oxoethyl]pyrrolidine-2-carboxylic acid
CID 43441727
1-[2-oxo-2-(3-propan-2-ylanilino)ethyl]pyrrolidine-2-carboxylic acid
CID 43441925
(2S)-1-[2-(2-fluoroanilino)-2-oxoethyl]pyrrolidine-2-carboxylic acid
CID 119910659
N-phenyl-2-(2-phenylpyrrolidin-1-yl)acetamide
CID 18137699
1-[2-[(5-bromo-2-pyridinyl)amino]-2-oxoethyl]piperidine-2-carboxylic acid
CID 43441331
(2S)-1-[2-[3-(cyclopropylcarbamoyl)anilino]-2-oxoethyl]pyrrolidine-2-carboxylic acid;hydrochloride
CID 119910364
1-[2-[3-(dimethylcarbamoyl)anilino]-2-oxoethyl]pyrrolidine-2-carboxylic acid;hydrochloride
CID 119908871

Frequently Asked Questions

What is the IUPAC name of 1-(2-anilino-2-oxoethyl)piperidine-2-carboxylic acid?
The IUPAC name of 1-(2-anilino-2-oxoethyl)piperidine-2-carboxylic acid (CID 43441072) is 1-(2-anilino-2-oxoethyl)piperidine-2-carboxylic acid.
What is the SMILES notation for 1-(2-anilino-2-oxoethyl)piperidine-2-carboxylic acid?
The canonical SMILES for 1-(2-anilino-2-oxoethyl)piperidine-2-carboxylic acid is O=C(CN1CCCCC1C(=O)O)Nc1ccccc1.
What is the InChIKey of 1-(2-anilino-2-oxoethyl)piperidine-2-carboxylic acid?
The InChIKey is QQFFXXOBGQXTNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c17-13(15-11-6-2-1-3-7-11)10-16-9-5-4-8-12(16)14(18)19/h1-3,6-7,12H,4-5,8-10H2,(H,15,17)(H,18,19).
What are the key properties of 1-(2-anilino-2-oxoethyl)piperidine-2-carboxylic acid?
1-(2-anilino-2-oxoethyl)piperidine-2-carboxylic acid has a molecular weight of 262.31 g/mol, XLogP of 1.56, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-anilino-2-oxoethyl)piperidine-2-carboxylic acid is sourced from PubChem (CID 43441072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).