1-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]piperidine-4-carboxylic acid;hydrochloride

C14H17Cl2FN2O3 — CID 119907508

IUPAC1-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]piperidine-4-carboxylic acid;hydrochloride
SMILESCl.O=C(CN1CCC(C(=O)O)CC1)Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C14H16ClFN2O3.ClH/c15-11-7-10(1-2-12(11)16)17-13(19)8-18-5-3-9(4-6-18)14(20)21;/h1-2,7,9H,3-6,8H2,(H,17,19)(H,20,21);1H
InChIKeyKPNXGPRXGJOIAJ-UHFFFAOYSA-N
MW351.21 g/mol
LogP2.64
Rot. Bonds4

About 1-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]piperidine-4-carboxylic acid;hydrochloride

1-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]piperidine-4-carboxylic acid;hydrochloride (PubChem CID 119907508) has the molecular formula C14H17Cl2FN2O3 and a molecular weight of 351.21 g/mol. Its IUPAC name is 1-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]piperidine-4-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name1-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]piperidine-4-carboxylic acid;hydrochloride
PubChem CID119907508
Molecular FormulaC14H17Cl2FN2O3
Molecular Weight351.21 g/mol
Exact Mass350.06
IUPAC Name1-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]piperidine-4-carboxylic acid;hydrochloride
SMILESCl.O=C(CN1CCC(C(=O)O)CC1)Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C14H16ClFN2O3.ClH/c15-11-7-10(1-2-12(11)16)17-13(19)8-18-5-3-9(4-6-18)14(20)21;/h1-2,7,9H,3-6,8H2,(H,17,19)(H,20,21);1H
InChIKeyKPNXGPRXGJOIAJ-UHFFFAOYSA-N
XLogP2.64
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.21
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-aminopyrrolidin-1-yl)-N-(3-chloro-4-fluorophenyl)acetamide;hydrochloride
CID 119917629
N-(3-chloro-4-fluorophenyl)-2-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]acetamide
CID 2040641
2-(4-acetylpiperazin-1-yl)-N-(3-chloro-4-fluorophenyl)acetamide
CID 8904218
N-(3-chloro-4-fluorophenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide
CID 981650
1-[2-(4-chloro-2-methylanilino)-2-oxoethyl]piperidine-4-carboxylic acid;hydrochloride
CID 119908238
1-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-(3,4-dichlorophenyl)piperidine-4-carboxamide
CID 16909974
N-(3-chloro-4-fluorophenyl)-2-[3-(hydroxymethyl)piperidin-1-yl]acetamide
CID 60642472
N-(3-chloro-4-fluorophenyl)-2-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]acetamide
CID 90495307
N-(3-chloro-4-methylphenyl)-2-[4-(2,5-difluorobenzoyl)piperidin-1-yl]acetamide
CID 55841590
N-(3-chloro-4-fluorophenyl)-1-prop-2-ynylpiperidine-4-carboxamide
CID 71938113
1-[2-(4-chloro-2-fluoroanilino)-2-oxoethyl]pyrrolidine-3-carboxylic acid
CID 63030998
N-(3-chloro-4-fluorophenyl)-2-[3-(methylaminomethyl)piperidin-1-yl]acetamide;hydrochloride
CID 119914724

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]piperidine-4-carboxylic acid;hydrochloride?
The IUPAC name of 1-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]piperidine-4-carboxylic acid;hydrochloride (CID 119907508) is 1-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]piperidine-4-carboxylic acid;hydrochloride.
What is the SMILES notation for 1-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]piperidine-4-carboxylic acid;hydrochloride?
The canonical SMILES for 1-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]piperidine-4-carboxylic acid;hydrochloride is Cl.O=C(CN1CCC(C(=O)O)CC1)Nc1ccc(F)c(Cl)c1.
What is the InChIKey of 1-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]piperidine-4-carboxylic acid;hydrochloride?
The InChIKey is KPNXGPRXGJOIAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClFN2O3.ClH/c15-11-7-10(1-2-12(11)16)17-13(19)8-18-5-3-9(4-6-18)14(20)21;/h1-2,7,9H,3-6,8H2,(H,17,19)(H,20,21);1H.
What are the key properties of 1-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]piperidine-4-carboxylic acid;hydrochloride?
1-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]piperidine-4-carboxylic acid;hydrochloride has a molecular weight of 351.21 g/mol, XLogP of 2.64, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]piperidine-4-carboxylic acid;hydrochloride is sourced from PubChem (CID 119907508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).