[4-(dimethylamino)phenyl]-[3-[(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]methanone

C22H25N5O2 — CID 91911296

IUPAC[4-(dimethylamino)phenyl]-[3-[(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]methanone
SMILESCN(C)c1ccc(C(=O)N2CCCC(Cc3noc(-c4ccncc4)n3)C2)cc1
InChIInChI=1S/C22H25N5O2/c1-26(2)19-7-5-18(6-8-19)22(28)27-13-3-4-16(15-27)14-20-24-21(29-25-20)17-9-11-23-12-10-17/h5-12,16H,3-4,13-15H2,1-2H3
InChIKeyCQTKILHLQKQENR-UHFFFAOYSA-N
MW391.48 g/mol
LogP3.29
Rot. Bonds5

About [4-(dimethylamino)phenyl]-[3-[(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]methanone

[4-(dimethylamino)phenyl]-[3-[(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]methanone (PubChem CID 91911296) has the molecular formula C22H25N5O2 and a molecular weight of 391.48 g/mol. Its IUPAC name is [4-(dimethylamino)phenyl]-[3-[(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name[4-(dimethylamino)phenyl]-[3-[(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]methanone
PubChem CID91911296
Molecular FormulaC22H25N5O2
Molecular Weight391.48 g/mol
Exact Mass391.20
IUPAC Name[4-(dimethylamino)phenyl]-[3-[(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]methanone
SMILESCN(C)c1ccc(C(=O)N2CCCC(Cc3noc(-c4ccncc4)n3)C2)cc1
InChIInChI=1S/C22H25N5O2/c1-26(2)19-7-5-18(6-8-19)22(28)27-13-3-4-16(15-27)14-20-24-21(29-25-20)17-9-11-23-12-10-17/h5-12,16H,3-4,13-15H2,1-2H3
InChIKeyCQTKILHLQKQENR-UHFFFAOYSA-N
XLogP3.29
TPSA75.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.48
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [4-(dimethylamino)phenyl]-[3-[(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]methanone with MolForge

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Related Compounds

furan-3-yl-[3-[(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-1-yl]methanone
CID 91905843
cyclopentyl-[(3R)-3-[(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-1-yl]methanone
CID 164634616
[3-(bromomethyl)piperidin-1-yl]-[4-(dimethylamino)phenyl]methanone
CID 80660500
[(3R)-3-aminopiperidin-1-yl]-[4-(dimethylamino)phenyl]methanone
CID 102983493
(3-chloropiperidin-1-yl)-[4-(dimethylamino)phenyl]methanone
CID 63393268
[3-(3-ethyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-pyridin-4-ylmethanone
CID 56728060
N-cyclopropyl-3-[(3S)-1-[4-(dimethylamino)benzoyl]piperidin-3-yl]propanamide
CID 26397692
pyrazin-2-yl-[3-[(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]methanone
CID 91918656
N-methyl-N-[2-[5-[4-(piperidine-1-carbonyl)phenyl]-1,2,4-oxadiazol-3-yl]ethyl]cyclohexanecarboxamide
CID 50817846
[3-(methylaminomethyl)piperidin-1-yl]-pyridin-4-ylmethanone
CID 61204344
3-[[1-(4-fluorophenyl)sulfonylpiperidin-3-yl]methyl]-5-pyridin-4-yl-1,2,4-oxadiazole
CID 91907997
3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-N-(1-pyridin-4-ylpropyl)piperidine-1-carboxamide
CID 136529525

Frequently Asked Questions

What is the IUPAC name of [4-(dimethylamino)phenyl]-[3-[(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]methanone?
The IUPAC name of [4-(dimethylamino)phenyl]-[3-[(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]methanone (CID 91911296) is [4-(dimethylamino)phenyl]-[3-[(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]methanone.
What is the SMILES notation for [4-(dimethylamino)phenyl]-[3-[(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]methanone?
The canonical SMILES for [4-(dimethylamino)phenyl]-[3-[(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]methanone is CN(C)c1ccc(C(=O)N2CCCC(Cc3noc(-c4ccncc4)n3)C2)cc1.
What is the InChIKey of [4-(dimethylamino)phenyl]-[3-[(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]methanone?
The InChIKey is CQTKILHLQKQENR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O2/c1-26(2)19-7-5-18(6-8-19)22(28)27-13-3-4-16(15-27)14-20-24-21(29-25-20)17-9-11-23-12-10-17/h5-12,16H,3-4,13-15H2,1-2H3.
What are the key properties of [4-(dimethylamino)phenyl]-[3-[(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]methanone?
[4-(dimethylamino)phenyl]-[3-[(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]methanone has a molecular weight of 391.48 g/mol, XLogP of 3.29, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(dimethylamino)phenyl]-[3-[(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]methanone is sourced from PubChem (CID 91911296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).