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

C22H23Cl2N5O2 — CID 19361760

IUPAC(3,4-dichlorophenyl)-[4-[[[6-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]methylamino]methyl]piperidin-1-yl]methanone
SMILESCc1nc(-c2cccc(CNCC3CCN(C(=O)c4ccc(Cl)c(Cl)c4)CC3)n2)no1
InChIInChI=1S/C22H23Cl2N5O2/c1-14-26-21(28-31-14)20-4-2-3-17(27-20)13-25-12-15-7-9-29(10-8-15)22(30)16-5-6-18(23)19(24)11-16/h2-6,11,15,25H,7-10,12-13H2,1H3
InChIKeyDIYTYNJXFSTVLA-UHFFFAOYSA-N
MW460.37 g/mol
LogP4.39
Rot. Bonds6

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

(3,4-dichlorophenyl)-[4-[[[6-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]methylamino]methyl]piperidin-1-yl]methanone (PubChem CID 19361760) has the molecular formula C22H23Cl2N5O2 and a molecular weight of 460.37 g/mol. Its IUPAC name is (3,4-dichlorophenyl)-[4-[[[6-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]methylamino]methyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3,4-dichlorophenyl)-[4-[[[6-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]methylamino]methyl]piperidin-1-yl]methanone
PubChem CID19361760
Molecular FormulaC22H23Cl2N5O2
Molecular Weight460.37 g/mol
Exact Mass459.12
IUPAC Name(3,4-dichlorophenyl)-[4-[[[6-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]methylamino]methyl]piperidin-1-yl]methanone
SMILESCc1nc(-c2cccc(CNCC3CCN(C(=O)c4ccc(Cl)c(Cl)c4)CC3)n2)no1
InChIInChI=1S/C22H23Cl2N5O2/c1-14-26-21(28-31-14)20-4-2-3-17(27-20)13-25-12-15-7-9-29(10-8-15)22(30)16-5-6-18(23)19(24)11-16/h2-6,11,15,25H,7-10,12-13H2,1H3
InChIKeyDIYTYNJXFSTVLA-UHFFFAOYSA-N
XLogP4.39
TPSA84.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.37
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3,4-dichlorophenyl)-[4-[[[6-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]methylamino]methyl]piperidin-1-yl]methanone?
The IUPAC name of (3,4-dichlorophenyl)-[4-[[[6-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]methylamino]methyl]piperidin-1-yl]methanone (CID 19361760) is (3,4-dichlorophenyl)-[4-[[[6-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]methylamino]methyl]piperidin-1-yl]methanone.
What is the SMILES notation for (3,4-dichlorophenyl)-[4-[[[6-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]methylamino]methyl]piperidin-1-yl]methanone?
The canonical SMILES for (3,4-dichlorophenyl)-[4-[[[6-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]methylamino]methyl]piperidin-1-yl]methanone is Cc1nc(-c2cccc(CNCC3CCN(C(=O)c4ccc(Cl)c(Cl)c4)CC3)n2)no1.
What is the InChIKey of (3,4-dichlorophenyl)-[4-[[[6-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]methylamino]methyl]piperidin-1-yl]methanone?
The InChIKey is DIYTYNJXFSTVLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23Cl2N5O2/c1-14-26-21(28-31-14)20-4-2-3-17(27-20)13-25-12-15-7-9-29(10-8-15)22(30)16-5-6-18(23)19(24)11-16/h2-6,11,15,25H,7-10,12-13H2,1H3.
What are the key properties of (3,4-dichlorophenyl)-[4-[[[6-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]methylamino]methyl]piperidin-1-yl]methanone?
(3,4-dichlorophenyl)-[4-[[[6-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]methylamino]methyl]piperidin-1-yl]methanone has a molecular weight of 460.37 g/mol, XLogP of 4.39, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dichlorophenyl)-[4-[[[6-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]methylamino]methyl]piperidin-1-yl]methanone is sourced from PubChem (CID 19361760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).