methyl 2-(2-fluoroanilino)-2-(6-piperidin-1-yl-3-pyridinyl)acetate

C19H22FN3O2 — CID 59200619

IUPACmethyl 2-(2-fluoroanilino)-2-(6-piperidin-1-yl-3-pyridinyl)acetate
SMILESCOC(=O)C(Nc1ccccc1F)c1ccc(N2CCCCC2)nc1
InChIInChI=1S/C19H22FN3O2/c1-25-19(24)18(22-16-8-4-3-7-15(16)20)14-9-10-17(21-13-14)23-11-5-2-6-12-23/h3-4,7-10,13,18,22H,2,5-6,11-12H2,1H3
InChIKeyFJXHLRBSKRTPJR-UHFFFAOYSA-N
MW343.40 g/mol
LogP3.54
Rot. Bonds5

About methyl 2-(2-fluoroanilino)-2-(6-piperidin-1-yl-3-pyridinyl)acetate

methyl 2-(2-fluoroanilino)-2-(6-piperidin-1-yl-3-pyridinyl)acetate (PubChem CID 59200619) has the molecular formula C19H22FN3O2 and a molecular weight of 343.40 g/mol. Its IUPAC name is methyl 2-(2-fluoroanilino)-2-(6-piperidin-1-yl-3-pyridinyl)acetate.

Molecular Properties

Compound Namemethyl 2-(2-fluoroanilino)-2-(6-piperidin-1-yl-3-pyridinyl)acetate
PubChem CID59200619
Molecular FormulaC19H22FN3O2
Molecular Weight343.40 g/mol
Exact Mass343.17
IUPAC Namemethyl 2-(2-fluoroanilino)-2-(6-piperidin-1-yl-3-pyridinyl)acetate
SMILESCOC(=O)C(Nc1ccccc1F)c1ccc(N2CCCCC2)nc1
InChIInChI=1S/C19H22FN3O2/c1-25-19(24)18(22-16-8-4-3-7-15(16)20)14-9-10-17(21-13-14)23-11-5-2-6-12-23/h3-4,7-10,13,18,22H,2,5-6,11-12H2,1H3
InChIKeyFJXHLRBSKRTPJR-UHFFFAOYSA-N
XLogP3.54
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.40
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-(3,4-dichlorophenyl)-2-(2-fluoroanilino)acetate
CID 60993465
2-(2-fluoroanilino)-2-(6-methoxy-3-pyridinyl)acetamide
CID 114937351
N-(2-fluorophenyl)-5-pyrrolidin-1-ylpyrazine-2-carboxamide
CID 109273799
(1S)-1-(6-piperidin-1-yl-3-pyridinyl)ethanamine
CID 79022376
methyl 2-(2-fluoroanilino)-2-(3-propan-2-ylimidazol-4-yl)acetate
CID 66162021
ethyl 2-(2-fluoroanilino)-2-(1-methylpyrazol-4-yl)acetate
CID 61001750
2-(2-fluorophenyl)sulfanyl-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]acetamide
CID 55745356
methyl 2-(2-fluorophenyl)-2-(4-pyrrolidin-1-ylphenyl)acetate
CID 122228439
1-(azepan-1-yl)-2-(2-fluoroanilino)propan-1-one
CID 43086908
(1S)-1-[6-(azetidin-1-yl)-3-pyridinyl]ethanamine
CID 130547362
methyl 4-(5-propan-2-yl-2-pyridinyl)piperazine-1-carboxylate
CID 165380767
4-(5-amino-2-pyridinyl)-N-(2-fluorophenyl)piperazine-1-carboxamide
CID 66765224

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-fluoroanilino)-2-(6-piperidin-1-yl-3-pyridinyl)acetate?
The IUPAC name of methyl 2-(2-fluoroanilino)-2-(6-piperidin-1-yl-3-pyridinyl)acetate (CID 59200619) is methyl 2-(2-fluoroanilino)-2-(6-piperidin-1-yl-3-pyridinyl)acetate.
What is the SMILES notation for methyl 2-(2-fluoroanilino)-2-(6-piperidin-1-yl-3-pyridinyl)acetate?
The canonical SMILES for methyl 2-(2-fluoroanilino)-2-(6-piperidin-1-yl-3-pyridinyl)acetate is COC(=O)C(Nc1ccccc1F)c1ccc(N2CCCCC2)nc1.
What is the InChIKey of methyl 2-(2-fluoroanilino)-2-(6-piperidin-1-yl-3-pyridinyl)acetate?
The InChIKey is FJXHLRBSKRTPJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN3O2/c1-25-19(24)18(22-16-8-4-3-7-15(16)20)14-9-10-17(21-13-14)23-11-5-2-6-12-23/h3-4,7-10,13,18,22H,2,5-6,11-12H2,1H3.
What are the key properties of methyl 2-(2-fluoroanilino)-2-(6-piperidin-1-yl-3-pyridinyl)acetate?
methyl 2-(2-fluoroanilino)-2-(6-piperidin-1-yl-3-pyridinyl)acetate has a molecular weight of 343.40 g/mol, XLogP of 3.54, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-fluoroanilino)-2-(6-piperidin-1-yl-3-pyridinyl)acetate is sourced from PubChem (CID 59200619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).