N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide

C20H29N5O2 — CID 55742229

IUPACN-[3-(3,5-dimethylpiperidin-1-yl)propyl]-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide
SMILESCC1CC(C)CN(CCCNC(=O)CCc2nc(-c3cccnc3)no2)C1
InChIInChI=1S/C20H29N5O2/c1-15-11-16(2)14-25(13-15)10-4-9-22-18(26)6-7-19-23-20(24-27-19)17-5-3-8-21-12-17/h3,5,8,12,15-16H,4,6-7,9-11,13-14H2,1-2H3,(H,22,26)
InChIKeyPRLDVAZGHHMCIE-UHFFFAOYSA-N
MW371.49 g/mol
LogP2.55
Rot. Bonds8

About N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide

N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide (PubChem CID 55742229) has the molecular formula C20H29N5O2 and a molecular weight of 371.49 g/mol. Its IUPAC name is N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide.

Molecular Properties

Compound NameN-[3-(3,5-dimethylpiperidin-1-yl)propyl]-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide
PubChem CID55742229
Molecular FormulaC20H29N5O2
Molecular Weight371.49 g/mol
Exact Mass371.23
IUPAC NameN-[3-(3,5-dimethylpiperidin-1-yl)propyl]-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide
SMILESCC1CC(C)CN(CCCNC(=O)CCc2nc(-c3cccnc3)no2)C1
InChIInChI=1S/C20H29N5O2/c1-15-11-16(2)14-25(13-15)10-4-9-22-18(26)6-7-19-23-20(24-27-19)17-5-3-8-21-12-17/h3,5,8,12,15-16H,4,6-7,9-11,13-14H2,1-2H3,(H,22,26)
InChIKeyPRLDVAZGHHMCIE-UHFFFAOYSA-N
XLogP2.55
TPSA84.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.49
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 15998462
N-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-3-[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]propanamide
CID 102602935
N-prop-2-ynyl-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 46471626
N-(2-pyridin-2-ylethyl)-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 46469135
N-(2-methyl-3-piperidin-1-ylpropyl)-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 55980926
N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]-4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)butanamide
CID 119067084
3-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-(2-pyridin-3-ylethyl)propanamide
CID 30768847
N-(2-phenylpropyl)-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 42957633
N-[2-(4-fluorophenoxy)ethyl]-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 46469483
N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 51729245
3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanoic acid
CID 3159643
N-(2,5-dimethylpyrazol-3-yl)-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 46472839

Frequently Asked Questions

What is the IUPAC name of N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide?
The IUPAC name of N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide (CID 55742229) is N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide.
What is the SMILES notation for N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide?
The canonical SMILES for N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide is CC1CC(C)CN(CCCNC(=O)CCc2nc(-c3cccnc3)no2)C1.
What is the InChIKey of N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide?
The InChIKey is PRLDVAZGHHMCIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N5O2/c1-15-11-16(2)14-25(13-15)10-4-9-22-18(26)6-7-19-23-20(24-27-19)17-5-3-8-21-12-17/h3,5,8,12,15-16H,4,6-7,9-11,13-14H2,1-2H3,(H,22,26).
What are the key properties of N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide?
N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide has a molecular weight of 371.49 g/mol, XLogP of 2.55, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide is sourced from PubChem (CID 55742229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).