(4S)-4-methyl-4-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)piperidin-2-one

C18H17N3O2 — CID 164640801

IUPAC(4S)-4-methyl-4-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)piperidin-2-one
SMILESC[C@]1(c2nc(-c3cccc4ccccc34)no2)CCNC(=O)C1
InChIInChI=1S/C18H17N3O2/c1-18(9-10-19-15(22)11-18)17-20-16(21-23-17)14-8-4-6-12-5-2-3-7-13(12)14/h2-8H,9-11H2,1H3,(H,19,22)/t18-/m0/s1
InChIKeyNSHYVTXADKOXBD-SFHVURJKSA-N
MW307.35 g/mol
LogP3.06
Rot. Bonds2

About (4S)-4-methyl-4-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)piperidin-2-one

(4S)-4-methyl-4-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)piperidin-2-one (PubChem CID 164640801) has the molecular formula C18H17N3O2 and a molecular weight of 307.35 g/mol. Its IUPAC name is (4S)-4-methyl-4-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)piperidin-2-one.

Molecular Properties

Compound Name(4S)-4-methyl-4-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)piperidin-2-one
PubChem CID164640801
Molecular FormulaC18H17N3O2
Molecular Weight307.35 g/mol
Exact Mass307.13
IUPAC Name(4S)-4-methyl-4-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)piperidin-2-one
SMILESC[C@]1(c2nc(-c3cccc4ccccc34)no2)CCNC(=O)C1
InChIInChI=1S/C18H17N3O2/c1-18(9-10-19-15(22)11-18)17-20-16(21-23-17)14-8-4-6-12-5-2-3-7-13(12)14/h2-8H,9-11H2,1H3,(H,19,22)/t18-/m0/s1
InChIKeyNSHYVTXADKOXBD-SFHVURJKSA-N
XLogP3.06
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-methyl-4-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)piperidin-2-one?
The IUPAC name of (4S)-4-methyl-4-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)piperidin-2-one (CID 164640801) is (4S)-4-methyl-4-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)piperidin-2-one.
What is the SMILES notation for (4S)-4-methyl-4-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)piperidin-2-one?
The canonical SMILES for (4S)-4-methyl-4-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)piperidin-2-one is C[C@]1(c2nc(-c3cccc4ccccc34)no2)CCNC(=O)C1.
What is the InChIKey of (4S)-4-methyl-4-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)piperidin-2-one?
The InChIKey is NSHYVTXADKOXBD-SFHVURJKSA-N. The full InChI is InChI=1S/C18H17N3O2/c1-18(9-10-19-15(22)11-18)17-20-16(21-23-17)14-8-4-6-12-5-2-3-7-13(12)14/h2-8H,9-11H2,1H3,(H,19,22)/t18-/m0/s1.
What are the key properties of (4S)-4-methyl-4-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)piperidin-2-one?
(4S)-4-methyl-4-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)piperidin-2-one has a molecular weight of 307.35 g/mol, XLogP of 3.06, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-methyl-4-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)piperidin-2-one is sourced from PubChem (CID 164640801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).