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

C22H22Cl2N4O2 — CID 10411236

IUPAC(3,4-dichlorophenyl)-[4-[[[6-(1,3-oxazol-5-yl)-2-pyridinyl]methylamino]methyl]piperidin-1-yl]methanone
SMILESO=C(c1ccc(Cl)c(Cl)c1)N1CCC(CNCc2cccc(-c3cnco3)n2)CC1
InChIInChI=1S/C22H22Cl2N4O2/c23-18-5-4-16(10-19(18)24)22(29)28-8-6-15(7-9-28)11-25-12-17-2-1-3-20(27-17)21-13-26-14-30-21/h1-5,10,13-15,25H,6-9,11-12H2
InChIKeyNXAGLLLVGMCGGH-UHFFFAOYSA-N
MW445.35 g/mol
LogP4.69
Rot. Bonds6

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

(3,4-dichlorophenyl)-[4-[[[6-(1,3-oxazol-5-yl)-2-pyridinyl]methylamino]methyl]piperidin-1-yl]methanone (PubChem CID 10411236) has the molecular formula C22H22Cl2N4O2 and a molecular weight of 445.35 g/mol. Its IUPAC name is (3,4-dichlorophenyl)-[4-[[[6-(1,3-oxazol-5-yl)-2-pyridinyl]methylamino]methyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3,4-dichlorophenyl)-[4-[[[6-(1,3-oxazol-5-yl)-2-pyridinyl]methylamino]methyl]piperidin-1-yl]methanone
PubChem CID10411236
Molecular FormulaC22H22Cl2N4O2
Molecular Weight445.35 g/mol
Exact Mass444.11
IUPAC Name(3,4-dichlorophenyl)-[4-[[[6-(1,3-oxazol-5-yl)-2-pyridinyl]methylamino]methyl]piperidin-1-yl]methanone
SMILESO=C(c1ccc(Cl)c(Cl)c1)N1CCC(CNCc2cccc(-c3cnco3)n2)CC1
InChIInChI=1S/C22H22Cl2N4O2/c23-18-5-4-16(10-19(18)24)22(29)28-8-6-15(7-9-28)11-25-12-17-2-1-3-20(27-17)21-13-26-14-30-21/h1-5,10,13-15,25H,6-9,11-12H2
InChIKeyNXAGLLLVGMCGGH-UHFFFAOYSA-N
XLogP4.69
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.35
LogP ≤ 54.69
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-[[[6-(1,3-oxazol-5-yl)-2-pyridinyl]methylamino]methyl]piperidin-1-yl]methanone?
The IUPAC name of (3,4-dichlorophenyl)-[4-[[[6-(1,3-oxazol-5-yl)-2-pyridinyl]methylamino]methyl]piperidin-1-yl]methanone (CID 10411236) is (3,4-dichlorophenyl)-[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-[[[6-(1,3-oxazol-5-yl)-2-pyridinyl]methylamino]methyl]piperidin-1-yl]methanone?
The canonical SMILES for (3,4-dichlorophenyl)-[4-[[[6-(1,3-oxazol-5-yl)-2-pyridinyl]methylamino]methyl]piperidin-1-yl]methanone is O=C(c1ccc(Cl)c(Cl)c1)N1CCC(CNCc2cccc(-c3cnco3)n2)CC1.
What is the InChIKey of (3,4-dichlorophenyl)-[4-[[[6-(1,3-oxazol-5-yl)-2-pyridinyl]methylamino]methyl]piperidin-1-yl]methanone?
The InChIKey is NXAGLLLVGMCGGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22Cl2N4O2/c23-18-5-4-16(10-19(18)24)22(29)28-8-6-15(7-9-28)11-25-12-17-2-1-3-20(27-17)21-13-26-14-30-21/h1-5,10,13-15,25H,6-9,11-12H2.
What are the key properties of (3,4-dichlorophenyl)-[4-[[[6-(1,3-oxazol-5-yl)-2-pyridinyl]methylamino]methyl]piperidin-1-yl]methanone?
(3,4-dichlorophenyl)-[4-[[[6-(1,3-oxazol-5-yl)-2-pyridinyl]methylamino]methyl]piperidin-1-yl]methanone has a molecular weight of 445.35 g/mol, XLogP of 4.69, 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-[[[6-(1,3-oxazol-5-yl)-2-pyridinyl]methylamino]methyl]piperidin-1-yl]methanone is sourced from PubChem (CID 10411236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).