4-(4-chloro-2-fluorobenzoyl)-N-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-8-yl)piperidine-1-carboxamide

C20H19ClFN3O4 — CID 142555755

IUPAC4-(4-chloro-2-fluorobenzoyl)-N-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-8-yl)piperidine-1-carboxamide
SMILESO=C(c1ccc(Cl)cc1F)C1CCN(C(=O)Nc2ccnc3c2OCCO3)CC1
InChIInChI=1S/C20H19ClFN3O4/c21-13-1-2-14(15(22)11-13)17(26)12-4-7-25(8-5-12)20(27)24-16-3-6-23-19-18(16)28-9-10-29-19/h1-3,6,11-12H,4-5,7-10H2,(H,23,24,27)
InChIKeyNUQKRHDYYYZWPD-UHFFFAOYSA-N
MW419.84 g/mol
LogP3.77
Rot. Bonds3

About 4-(4-chloro-2-fluorobenzoyl)-N-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-8-yl)piperidine-1-carboxamide

4-(4-chloro-2-fluorobenzoyl)-N-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-8-yl)piperidine-1-carboxamide (PubChem CID 142555755) has the molecular formula C20H19ClFN3O4 and a molecular weight of 419.84 g/mol. Its IUPAC name is 4-(4-chloro-2-fluorobenzoyl)-N-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-8-yl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(4-chloro-2-fluorobenzoyl)-N-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-8-yl)piperidine-1-carboxamide
PubChem CID142555755
Molecular FormulaC20H19ClFN3O4
Molecular Weight419.84 g/mol
Exact Mass419.10
IUPAC Name4-(4-chloro-2-fluorobenzoyl)-N-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-8-yl)piperidine-1-carboxamide
SMILESO=C(c1ccc(Cl)cc1F)C1CCN(C(=O)Nc2ccnc3c2OCCO3)CC1
InChIInChI=1S/C20H19ClFN3O4/c21-13-1-2-14(15(22)11-13)17(26)12-4-7-25(8-5-12)20(27)24-16-3-6-23-19-18(16)28-9-10-29-19/h1-3,6,11-12H,4-5,7-10H2,(H,23,24,27)
InChIKeyNUQKRHDYYYZWPD-UHFFFAOYSA-N
XLogP3.77
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.84
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-2-fluorobenzoyl)-N-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-8-yl)piperidine-1-carboxamide?
The IUPAC name of 4-(4-chloro-2-fluorobenzoyl)-N-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-8-yl)piperidine-1-carboxamide (CID 142555755) is 4-(4-chloro-2-fluorobenzoyl)-N-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-8-yl)piperidine-1-carboxamide.
What is the SMILES notation for 4-(4-chloro-2-fluorobenzoyl)-N-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-8-yl)piperidine-1-carboxamide?
The canonical SMILES for 4-(4-chloro-2-fluorobenzoyl)-N-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-8-yl)piperidine-1-carboxamide is O=C(c1ccc(Cl)cc1F)C1CCN(C(=O)Nc2ccnc3c2OCCO3)CC1.
What is the InChIKey of 4-(4-chloro-2-fluorobenzoyl)-N-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-8-yl)piperidine-1-carboxamide?
The InChIKey is NUQKRHDYYYZWPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClFN3O4/c21-13-1-2-14(15(22)11-13)17(26)12-4-7-25(8-5-12)20(27)24-16-3-6-23-19-18(16)28-9-10-29-19/h1-3,6,11-12H,4-5,7-10H2,(H,23,24,27).
What are the key properties of 4-(4-chloro-2-fluorobenzoyl)-N-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-8-yl)piperidine-1-carboxamide?
4-(4-chloro-2-fluorobenzoyl)-N-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-8-yl)piperidine-1-carboxamide has a molecular weight of 419.84 g/mol, XLogP of 3.77, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloro-2-fluorobenzoyl)-N-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-8-yl)piperidine-1-carboxamide is sourced from PubChem (CID 142555755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).