3-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1,2,4-oxadiazol-5-yl]-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]propanamide

C24H33N5O2 — CID 22515127

IUPAC3-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1,2,4-oxadiazol-5-yl]-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]propanamide
SMILESCC1CCN(Cc2ccc(NC(=O)CCc3nc(C4=CCN(C)CC4)no3)cc2)CC1
InChIInChI=1S/C24H33N5O2/c1-18-9-15-29(16-10-18)17-19-3-5-21(6-4-19)25-22(30)7-8-23-26-24(27-31-23)20-11-13-28(2)14-12-20/h3-6,11,18H,7-10,12-17H2,1-2H3,(H,25,30)
InChIKeyOWKYYBXKYRHVCJ-UHFFFAOYSA-N
MW423.56 g/mol
LogP3.59
Rot. Bonds7

About 3-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1,2,4-oxadiazol-5-yl]-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]propanamide

3-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1,2,4-oxadiazol-5-yl]-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]propanamide (PubChem CID 22515127) has the molecular formula C24H33N5O2 and a molecular weight of 423.56 g/mol. Its IUPAC name is 3-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1,2,4-oxadiazol-5-yl]-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]propanamide.

Molecular Properties

Compound Name3-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1,2,4-oxadiazol-5-yl]-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]propanamide
PubChem CID22515127
Molecular FormulaC24H33N5O2
Molecular Weight423.56 g/mol
Exact Mass423.26
IUPAC Name3-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1,2,4-oxadiazol-5-yl]-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]propanamide
SMILESCC1CCN(Cc2ccc(NC(=O)CCc3nc(C4=CCN(C)CC4)no3)cc2)CC1
InChIInChI=1S/C24H33N5O2/c1-18-9-15-29(16-10-18)17-19-3-5-21(6-4-19)25-22(30)7-8-23-26-24(27-31-23)20-11-13-28(2)14-12-20/h3-6,11,18H,7-10,12-17H2,1-2H3,(H,25,30)
InChIKeyOWKYYBXKYRHVCJ-UHFFFAOYSA-N
XLogP3.59
TPSA74.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.56
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1,2,4-oxadiazol-5-yl]-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]propanamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1,2,4-oxadiazol-5-yl]-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]propanamide?
The IUPAC name of 3-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1,2,4-oxadiazol-5-yl]-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]propanamide (CID 22515127) is 3-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1,2,4-oxadiazol-5-yl]-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]propanamide.
What is the SMILES notation for 3-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1,2,4-oxadiazol-5-yl]-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]propanamide?
The canonical SMILES for 3-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1,2,4-oxadiazol-5-yl]-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]propanamide is CC1CCN(Cc2ccc(NC(=O)CCc3nc(C4=CCN(C)CC4)no3)cc2)CC1.
What is the InChIKey of 3-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1,2,4-oxadiazol-5-yl]-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]propanamide?
The InChIKey is OWKYYBXKYRHVCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N5O2/c1-18-9-15-29(16-10-18)17-19-3-5-21(6-4-19)25-22(30)7-8-23-26-24(27-31-23)20-11-13-28(2)14-12-20/h3-6,11,18H,7-10,12-17H2,1-2H3,(H,25,30).
What are the key properties of 3-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1,2,4-oxadiazol-5-yl]-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]propanamide?
3-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1,2,4-oxadiazol-5-yl]-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]propanamide has a molecular weight of 423.56 g/mol, XLogP of 3.59, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1,2,4-oxadiazol-5-yl]-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]propanamide is sourced from PubChem (CID 22515127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).