(3,4-dichlorophenyl)-[4-fluoro-4-[[[6-(1,3-oxazol-5-yl)-2-pyridinyl]methylamino]methyl]piperidin-1-yl]methanone

C22H21Cl2FN4O2 — CID 10695395

IUPAC(3,4-dichlorophenyl)-[4-fluoro-4-[[[6-(1,3-oxazol-5-yl)-2-pyridinyl]methylamino]methyl]piperidin-1-yl]methanone
SMILESO=C(c1ccc(Cl)c(Cl)c1)N1CCC(F)(CNCc2cccc(-c3cnco3)n2)CC1
InChIInChI=1S/C22H21Cl2FN4O2/c23-17-5-4-15(10-18(17)24)21(30)29-8-6-22(25,7-9-29)13-26-11-16-2-1-3-19(28-16)20-12-27-14-31-20/h1-5,10,12,14,26H,6-9,11,13H2
InChIKeyIWSQYCLFGIYRMU-UHFFFAOYSA-N
MW463.34 g/mol
LogP4.78
Rot. Bonds6

About (3,4-dichlorophenyl)-[4-fluoro-4-[[[6-(1,3-oxazol-5-yl)-2-pyridinyl]methylamino]methyl]piperidin-1-yl]methanone

(3,4-dichlorophenyl)-[4-fluoro-4-[[[6-(1,3-oxazol-5-yl)-2-pyridinyl]methylamino]methyl]piperidin-1-yl]methanone (PubChem CID 10695395) has the molecular formula C22H21Cl2FN4O2 and a molecular weight of 463.34 g/mol. Its IUPAC name is (3,4-dichlorophenyl)-[4-fluoro-4-[[[6-(1,3-oxazol-5-yl)-2-pyridinyl]methylamino]methyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3,4-dichlorophenyl)-[4-fluoro-4-[[[6-(1,3-oxazol-5-yl)-2-pyridinyl]methylamino]methyl]piperidin-1-yl]methanone
PubChem CID10695395
Molecular FormulaC22H21Cl2FN4O2
Molecular Weight463.34 g/mol
Exact Mass462.10
IUPAC Name(3,4-dichlorophenyl)-[4-fluoro-4-[[[6-(1,3-oxazol-5-yl)-2-pyridinyl]methylamino]methyl]piperidin-1-yl]methanone
SMILESO=C(c1ccc(Cl)c(Cl)c1)N1CCC(F)(CNCc2cccc(-c3cnco3)n2)CC1
InChIInChI=1S/C22H21Cl2FN4O2/c23-17-5-4-15(10-18(17)24)21(30)29-8-6-22(25,7-9-29)13-26-11-16-2-1-3-19(28-16)20-12-27-14-31-20/h1-5,10,12,14,26H,6-9,11,13H2
InChIKeyIWSQYCLFGIYRMU-UHFFFAOYSA-N
XLogP4.78
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.34
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3,4-dichlorophenyl)-[4-fluoro-4-[[[6-(1,3-oxazol-5-yl)-2-pyridinyl]methylamino]methyl]piperidin-1-yl]methanone?
The IUPAC name of (3,4-dichlorophenyl)-[4-fluoro-4-[[[6-(1,3-oxazol-5-yl)-2-pyridinyl]methylamino]methyl]piperidin-1-yl]methanone (CID 10695395) is (3,4-dichlorophenyl)-[4-fluoro-4-[[[6-(1,3-oxazol-5-yl)-2-pyridinyl]methylamino]methyl]piperidin-1-yl]methanone.
What is the SMILES notation for (3,4-dichlorophenyl)-[4-fluoro-4-[[[6-(1,3-oxazol-5-yl)-2-pyridinyl]methylamino]methyl]piperidin-1-yl]methanone?
The canonical SMILES for (3,4-dichlorophenyl)-[4-fluoro-4-[[[6-(1,3-oxazol-5-yl)-2-pyridinyl]methylamino]methyl]piperidin-1-yl]methanone is O=C(c1ccc(Cl)c(Cl)c1)N1CCC(F)(CNCc2cccc(-c3cnco3)n2)CC1.
What is the InChIKey of (3,4-dichlorophenyl)-[4-fluoro-4-[[[6-(1,3-oxazol-5-yl)-2-pyridinyl]methylamino]methyl]piperidin-1-yl]methanone?
The InChIKey is IWSQYCLFGIYRMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21Cl2FN4O2/c23-17-5-4-15(10-18(17)24)21(30)29-8-6-22(25,7-9-29)13-26-11-16-2-1-3-19(28-16)20-12-27-14-31-20/h1-5,10,12,14,26H,6-9,11,13H2.
What are the key properties of (3,4-dichlorophenyl)-[4-fluoro-4-[[[6-(1,3-oxazol-5-yl)-2-pyridinyl]methylamino]methyl]piperidin-1-yl]methanone?
(3,4-dichlorophenyl)-[4-fluoro-4-[[[6-(1,3-oxazol-5-yl)-2-pyridinyl]methylamino]methyl]piperidin-1-yl]methanone has a molecular weight of 463.34 g/mol, XLogP of 4.78, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dichlorophenyl)-[4-fluoro-4-[[[6-(1,3-oxazol-5-yl)-2-pyridinyl]methylamino]methyl]piperidin-1-yl]methanone is sourced from PubChem (CID 10695395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).