(5R)-5-(3-propyl-1,2,4-oxadiazol-5-yl)-1-(pyridin-2-ylmethyl)piperidin-2-one

C16H20N4O2 — CID 97147997

IUPAC(5R)-5-(3-propyl-1,2,4-oxadiazol-5-yl)-1-(pyridin-2-ylmethyl)piperidin-2-one
SMILESCCCc1noc([C@@H]2CCC(=O)N(Cc3ccccn3)C2)n1
InChIInChI=1S/C16H20N4O2/c1-2-5-14-18-16(22-19-14)12-7-8-15(21)20(10-12)11-13-6-3-4-9-17-13/h3-4,6,9,12H,2,5,7-8,10-11H2,1H3/t12-/m1/s1
InChIKeyMSKNQZBDMOMRDT-GFCCVEGCSA-N
MW300.36 g/mol
LogP2.32
Rot. Bonds5

About (5R)-5-(3-propyl-1,2,4-oxadiazol-5-yl)-1-(pyridin-2-ylmethyl)piperidin-2-one

(5R)-5-(3-propyl-1,2,4-oxadiazol-5-yl)-1-(pyridin-2-ylmethyl)piperidin-2-one (PubChem CID 97147997) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is (5R)-5-(3-propyl-1,2,4-oxadiazol-5-yl)-1-(pyridin-2-ylmethyl)piperidin-2-one.

Molecular Properties

Compound Name(5R)-5-(3-propyl-1,2,4-oxadiazol-5-yl)-1-(pyridin-2-ylmethyl)piperidin-2-one
PubChem CID97147997
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC Name(5R)-5-(3-propyl-1,2,4-oxadiazol-5-yl)-1-(pyridin-2-ylmethyl)piperidin-2-one
SMILESCCCc1noc([C@@H]2CCC(=O)N(Cc3ccccn3)C2)n1
InChIInChI=1S/C16H20N4O2/c1-2-5-14-18-16(22-19-14)12-7-8-15(21)20(10-12)11-13-6-3-4-9-17-13/h3-4,6,9,12H,2,5,7-8,10-11H2,1H3/t12-/m1/s1
InChIKeyMSKNQZBDMOMRDT-GFCCVEGCSA-N
XLogP2.32
TPSA72.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (5R)-5-(3-propyl-1,2,4-oxadiazol-5-yl)-1-(pyridin-2-ylmethyl)piperidin-2-one with MolForge

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Related Compounds

1-[(3-methoxyphenyl)methyl]-5-(3-propyl-1,2,4-oxadiazol-5-yl)piperidin-2-one
CID 72876939
4-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]-1-(pyridin-2-ylmethyl)pyrrolidin-2-one
CID 136516267
(5R)-5-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-1-[(2-methoxyphenyl)methyl]piperidin-2-one
CID 97123469
1-[(2-fluorophenyl)methyl]-5-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidin-2-one
CID 72892271
5-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-1-[(2-methoxyphenyl)methyl]piperidin-2-one
CID 72870039
(5R)-1-[(2-fluorophenyl)methyl]-5-[3-[(1-methylpiperidin-4-yl)methyl]-1,2,4-oxadiazol-5-yl]piperidin-2-one
CID 97118378
1-[(3-fluorophenyl)methyl]-5-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidin-2-one
CID 72838295
5-(3-methyl-1,2,4-oxadiazol-5-yl)-1-(2-phenylethyl)piperidin-2-one
CID 72892822
(3S)-N-[2-(5-ethyl-1,2,4-oxadiazol-3-yl)ethyl]-5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
CID 97270697
(5S)-1-[(3-fluorophenyl)methyl]-5-[3-[(1-methylpiperidin-4-yl)methyl]-1,2,4-oxadiazol-5-yl]piperidin-2-one
CID 97110556
1-[(3-methoxyphenyl)methyl]-5-[3-(morpholin-4-ylmethyl)-1,2,4-oxadiazol-5-yl]piperidin-2-one
CID 72889204
N-[2-(4-ethyl-1,3-thiazol-2-yl)ethyl]-6-oxo-1-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 45169229

Frequently Asked Questions

What is the IUPAC name of (5R)-5-(3-propyl-1,2,4-oxadiazol-5-yl)-1-(pyridin-2-ylmethyl)piperidin-2-one?
The IUPAC name of (5R)-5-(3-propyl-1,2,4-oxadiazol-5-yl)-1-(pyridin-2-ylmethyl)piperidin-2-one (CID 97147997) is (5R)-5-(3-propyl-1,2,4-oxadiazol-5-yl)-1-(pyridin-2-ylmethyl)piperidin-2-one.
What is the SMILES notation for (5R)-5-(3-propyl-1,2,4-oxadiazol-5-yl)-1-(pyridin-2-ylmethyl)piperidin-2-one?
The canonical SMILES for (5R)-5-(3-propyl-1,2,4-oxadiazol-5-yl)-1-(pyridin-2-ylmethyl)piperidin-2-one is CCCc1noc([C@@H]2CCC(=O)N(Cc3ccccn3)C2)n1.
What is the InChIKey of (5R)-5-(3-propyl-1,2,4-oxadiazol-5-yl)-1-(pyridin-2-ylmethyl)piperidin-2-one?
The InChIKey is MSKNQZBDMOMRDT-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H20N4O2/c1-2-5-14-18-16(22-19-14)12-7-8-15(21)20(10-12)11-13-6-3-4-9-17-13/h3-4,6,9,12H,2,5,7-8,10-11H2,1H3/t12-/m1/s1.
What are the key properties of (5R)-5-(3-propyl-1,2,4-oxadiazol-5-yl)-1-(pyridin-2-ylmethyl)piperidin-2-one?
(5R)-5-(3-propyl-1,2,4-oxadiazol-5-yl)-1-(pyridin-2-ylmethyl)piperidin-2-one has a molecular weight of 300.36 g/mol, XLogP of 2.32, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-(3-propyl-1,2,4-oxadiazol-5-yl)-1-(pyridin-2-ylmethyl)piperidin-2-one is sourced from PubChem (CID 97147997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).