1-[2-(4-chloro-2-methylanilino)-2-oxoethyl]piperidine-2-carboxylic acid

C15H19ClN2O3 — CID 43441373

IUPAC1-[2-(4-chloro-2-methylanilino)-2-oxoethyl]piperidine-2-carboxylic acid
SMILESCc1cc(Cl)ccc1NC(=O)CN1CCCCC1C(=O)O
InChIInChI=1S/C15H19ClN2O3/c1-10-8-11(16)5-6-12(10)17-14(19)9-18-7-3-2-4-13(18)15(20)21/h5-6,8,13H,2-4,7,9H2,1H3,(H,17,19)(H,20,21)
InChIKeyXRKJQWROBMNBMH-UHFFFAOYSA-N
MW310.78 g/mol
LogP2.53
Rot. Bonds4

About 1-[2-(4-chloro-2-methylanilino)-2-oxoethyl]piperidine-2-carboxylic acid

1-[2-(4-chloro-2-methylanilino)-2-oxoethyl]piperidine-2-carboxylic acid (PubChem CID 43441373) has the molecular formula C15H19ClN2O3 and a molecular weight of 310.78 g/mol. Its IUPAC name is 1-[2-(4-chloro-2-methylanilino)-2-oxoethyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[2-(4-chloro-2-methylanilino)-2-oxoethyl]piperidine-2-carboxylic acid
PubChem CID43441373
Molecular FormulaC15H19ClN2O3
Molecular Weight310.78 g/mol
Exact Mass310.11
IUPAC Name1-[2-(4-chloro-2-methylanilino)-2-oxoethyl]piperidine-2-carboxylic acid
SMILESCc1cc(Cl)ccc1NC(=O)CN1CCCCC1C(=O)O
InChIInChI=1S/C15H19ClN2O3/c1-10-8-11(16)5-6-12(10)17-14(19)9-18-7-3-2-4-13(18)15(20)21/h5-6,8,13H,2-4,7,9H2,1H3,(H,17,19)(H,20,21)
InChIKeyXRKJQWROBMNBMH-UHFFFAOYSA-N
XLogP2.53
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.78
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(2,5-dichloroanilino)-2-oxoethyl]pyrrolidine-2-carboxylic acid
CID 43441795
1-[2-(5-fluoro-2-methylanilino)-2-oxoethyl]piperidine-2-carboxylic acid
CID 43441356
1-[2-(4-chloro-2-methylanilino)-2-oxoethyl]piperidine-4-carboxylic acid;hydrochloride
CID 119908238
1-[2-(2-fluoroanilino)-2-oxoethyl]azepane-2-carboxylic acid
CID 64563162
1-[2-(2,3-dimethylanilino)-2-oxoethyl]pyrrolidine-2-carboxylic acid
CID 43441823
2-[(2S)-2-(1,3-benzothiazol-2-yl)piperidin-1-yl]-N-(4-chloro-2-methylphenyl)acetamide
CID 9135390
N-(4-chloro-2-fluorophenyl)-2-[(2R)-2-methylpiperidin-1-yl]acetamide
CID 8583329
1-(2-anilino-2-oxoethyl)piperidine-2-carboxylic acid
CID 43441072
N-(2,4-dimethylphenyl)-2-[(2R)-2-methylpiperidin-1-yl]acetamide
CID 8583301
1-[2-[(3-chlorophenyl)methylamino]-2-oxoethyl]piperidine-2-carboxylic acid
CID 86789165
1-[2-(2-iodoanilino)-2-oxoethyl]azepane-2-carboxylic acid
CID 64564340
N-(4-chloro-2-methylphenyl)-2-(2-oxopiperidin-1-yl)acetamide
CID 86930614

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-chloro-2-methylanilino)-2-oxoethyl]piperidine-2-carboxylic acid?
The IUPAC name of 1-[2-(4-chloro-2-methylanilino)-2-oxoethyl]piperidine-2-carboxylic acid (CID 43441373) is 1-[2-(4-chloro-2-methylanilino)-2-oxoethyl]piperidine-2-carboxylic acid.
What is the SMILES notation for 1-[2-(4-chloro-2-methylanilino)-2-oxoethyl]piperidine-2-carboxylic acid?
The canonical SMILES for 1-[2-(4-chloro-2-methylanilino)-2-oxoethyl]piperidine-2-carboxylic acid is Cc1cc(Cl)ccc1NC(=O)CN1CCCCC1C(=O)O.
What is the InChIKey of 1-[2-(4-chloro-2-methylanilino)-2-oxoethyl]piperidine-2-carboxylic acid?
The InChIKey is XRKJQWROBMNBMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O3/c1-10-8-11(16)5-6-12(10)17-14(19)9-18-7-3-2-4-13(18)15(20)21/h5-6,8,13H,2-4,7,9H2,1H3,(H,17,19)(H,20,21).
What are the key properties of 1-[2-(4-chloro-2-methylanilino)-2-oxoethyl]piperidine-2-carboxylic acid?
1-[2-(4-chloro-2-methylanilino)-2-oxoethyl]piperidine-2-carboxylic acid has a molecular weight of 310.78 g/mol, XLogP of 2.53, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-chloro-2-methylanilino)-2-oxoethyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 43441373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).