1-[2-(2,4-dichloroanilino)acetyl]piperidine-4-carboxylic acid

C14H16Cl2N2O3 — CID 103232277

IUPAC1-[2-(2,4-dichloroanilino)acetyl]piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)CNc2ccc(Cl)cc2Cl)CC1
InChIInChI=1S/C14H16Cl2N2O3/c15-10-1-2-12(11(16)7-10)17-8-13(19)18-5-3-9(4-6-18)14(20)21/h1-2,7,9,17H,3-6,8H2,(H,20,21)
InChIKeyMOFPQIJUSMKVOJ-UHFFFAOYSA-N
MW331.20 g/mol
LogP2.73
Rot. Bonds4

About 1-[2-(2,4-dichloroanilino)acetyl]piperidine-4-carboxylic acid

1-[2-(2,4-dichloroanilino)acetyl]piperidine-4-carboxylic acid (PubChem CID 103232277) has the molecular formula C14H16Cl2N2O3 and a molecular weight of 331.20 g/mol. Its IUPAC name is 1-[2-(2,4-dichloroanilino)acetyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[2-(2,4-dichloroanilino)acetyl]piperidine-4-carboxylic acid
PubChem CID103232277
Molecular FormulaC14H16Cl2N2O3
Molecular Weight331.20 g/mol
Exact Mass330.05
IUPAC Name1-[2-(2,4-dichloroanilino)acetyl]piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)CNc2ccc(Cl)cc2Cl)CC1
InChIInChI=1S/C14H16Cl2N2O3/c15-10-1-2-12(11(16)7-10)17-8-13(19)18-5-3-9(4-6-18)14(20)21/h1-2,7,9,17H,3-6,8H2,(H,20,21)
InChIKeyMOFPQIJUSMKVOJ-UHFFFAOYSA-N
XLogP2.73
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.20
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chloro-2-fluoroanilino)-1-pyrrolidin-1-ylethanone
CID 60631356
1-[2-(2-bromo-4-methylanilino)acetyl]piperidine-4-carboxylic acid
CID 103231678
2-(2,5-dichloroanilino)-1-piperidin-1-ylethanone
CID 28568208
3-(2,4-dichloroanilino)-1-pyrrolidin-1-ylpropan-1-one
CID 109013396
1-[2-(2-bromo-5-fluoroanilino)acetyl]piperidine-4-carboxylic acid
CID 107636652
2-(4-chloro-2-fluoroanilino)-1-(4-phenylpiperazin-1-yl)ethanone
CID 2486451
2-(2-bromo-4-chloroanilino)-1-piperidin-1-ylethanone
CID 80979229
1-[(Z)-2-cyano-3-(2,4-dichloroanilino)prop-2-enoyl]piperidine-4-carboxylic acid
CID 108832098
1-[2-(2-amino-4-chlorophenyl)sulfanylacetyl]piperidine-4-carboxylic acid
CID 62659336
1-[2-[(2,3-dichlorophenyl)sulfonylamino]acetyl]piperidine-4-carboxylic acid
CID 139889249
(3R)-1-[(2,4-dichlorophenyl)carbamoyl]piperidine-3-carboxylic acid
CID 81120293
2-[2-chloro-4-(trifluoromethyl)anilino]-1-piperidin-1-ylethanone
CID 60694052

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,4-dichloroanilino)acetyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[2-(2,4-dichloroanilino)acetyl]piperidine-4-carboxylic acid (CID 103232277) is 1-[2-(2,4-dichloroanilino)acetyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[2-(2,4-dichloroanilino)acetyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[2-(2,4-dichloroanilino)acetyl]piperidine-4-carboxylic acid is O=C(O)C1CCN(C(=O)CNc2ccc(Cl)cc2Cl)CC1.
What is the InChIKey of 1-[2-(2,4-dichloroanilino)acetyl]piperidine-4-carboxylic acid?
The InChIKey is MOFPQIJUSMKVOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16Cl2N2O3/c15-10-1-2-12(11(16)7-10)17-8-13(19)18-5-3-9(4-6-18)14(20)21/h1-2,7,9,17H,3-6,8H2,(H,20,21).
What are the key properties of 1-[2-(2,4-dichloroanilino)acetyl]piperidine-4-carboxylic acid?
1-[2-(2,4-dichloroanilino)acetyl]piperidine-4-carboxylic acid has a molecular weight of 331.20 g/mol, XLogP of 2.73, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,4-dichloroanilino)acetyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 103232277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).