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

C15H20Cl2N2O3 — CID 119908238

IUPAC1-[2-(4-chloro-2-methylanilino)-2-oxoethyl]piperidine-4-carboxylic acid;hydrochloride
SMILESCc1cc(Cl)ccc1NC(=O)CN1CCC(C(=O)O)CC1.Cl
InChIInChI=1S/C15H19ClN2O3.ClH/c1-10-8-12(16)2-3-13(10)17-14(19)9-18-6-4-11(5-7-18)15(20)21;/h2-3,8,11H,4-7,9H2,1H3,(H,17,19)(H,20,21);1H
InChIKeyWVCSYQMVXWZIKV-UHFFFAOYSA-N
MW347.24 g/mol
LogP2.81
Rot. Bonds4

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

1-[2-(4-chloro-2-methylanilino)-2-oxoethyl]piperidine-4-carboxylic acid;hydrochloride (PubChem CID 119908238) has the molecular formula C15H20Cl2N2O3 and a molecular weight of 347.24 g/mol. Its IUPAC name is 1-[2-(4-chloro-2-methylanilino)-2-oxoethyl]piperidine-4-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name1-[2-(4-chloro-2-methylanilino)-2-oxoethyl]piperidine-4-carboxylic acid;hydrochloride
PubChem CID119908238
Molecular FormulaC15H20Cl2N2O3
Molecular Weight347.24 g/mol
Exact Mass346.09
IUPAC Name1-[2-(4-chloro-2-methylanilino)-2-oxoethyl]piperidine-4-carboxylic acid;hydrochloride
SMILESCc1cc(Cl)ccc1NC(=O)CN1CCC(C(=O)O)CC1.Cl
InChIInChI=1S/C15H19ClN2O3.ClH/c1-10-8-12(16)2-3-13(10)17-14(19)9-18-6-4-11(5-7-18)15(20)21;/h2-3,8,11H,4-7,9H2,1H3,(H,17,19)(H,20,21);1H
InChIKeyWVCSYQMVXWZIKV-UHFFFAOYSA-N
XLogP2.81
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.24
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(1-aminoethyl)piperidin-1-yl]-N-(4-chloro-2-methylphenyl)acetamide;hydrochloride
CID 119920513
1-[2-(4-chloro-2-fluoroanilino)-2-oxoethyl]pyrrolidine-3-carboxylic acid
CID 63030998
1-[2-(4-chloro-2-methylanilino)-2-oxoethyl]piperidine-2-carboxylic acid
CID 43441373
N-(4-chlorophenyl)-1-[2-(2,4-dimethylanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 16910194
1-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]piperidine-4-carboxylic acid;hydrochloride
CID 119907508
1-[2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxoethyl]piperidine-4-carboxylic acid
CID 119907840
2-[3-(2-aminoethyl)piperidin-1-yl]-N-(4-chloro-2-methylphenyl)acetamide;hydrochloride
CID 120728146
1-[2-oxo-2-(2,4,5-trichloroanilino)ethyl]piperidine-4-carboxylic acid
CID 119907939
N-(4-chloro-2-methylphenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide
CID 8704214
N-(4-chloro-2-methylphenyl)-2-[4-(2-hydroxyphenyl)piperazin-1-yl]acetamide
CID 8005862
N-(4-chloro-2-methylphenyl)-2-[(3S)-3-methylpiperazin-1-yl]acetamide
CID 104976877
ethyl 1-[2-(2,4-dichloroanilino)-2-oxoethyl]piperidine-4-carboxylate
CID 4818406

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-chloro-2-methylanilino)-2-oxoethyl]piperidine-4-carboxylic acid;hydrochloride?
The IUPAC name of 1-[2-(4-chloro-2-methylanilino)-2-oxoethyl]piperidine-4-carboxylic acid;hydrochloride (CID 119908238) is 1-[2-(4-chloro-2-methylanilino)-2-oxoethyl]piperidine-4-carboxylic acid;hydrochloride.
What is the SMILES notation for 1-[2-(4-chloro-2-methylanilino)-2-oxoethyl]piperidine-4-carboxylic acid;hydrochloride?
The canonical SMILES for 1-[2-(4-chloro-2-methylanilino)-2-oxoethyl]piperidine-4-carboxylic acid;hydrochloride is Cc1cc(Cl)ccc1NC(=O)CN1CCC(C(=O)O)CC1.Cl.
What is the InChIKey of 1-[2-(4-chloro-2-methylanilino)-2-oxoethyl]piperidine-4-carboxylic acid;hydrochloride?
The InChIKey is WVCSYQMVXWZIKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O3.ClH/c1-10-8-12(16)2-3-13(10)17-14(19)9-18-6-4-11(5-7-18)15(20)21;/h2-3,8,11H,4-7,9H2,1H3,(H,17,19)(H,20,21);1H.
What are the key properties of 1-[2-(4-chloro-2-methylanilino)-2-oxoethyl]piperidine-4-carboxylic acid;hydrochloride?
1-[2-(4-chloro-2-methylanilino)-2-oxoethyl]piperidine-4-carboxylic acid;hydrochloride has a molecular weight of 347.24 g/mol, XLogP of 2.81, 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-4-carboxylic acid;hydrochloride is sourced from PubChem (CID 119908238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).