1-[(3-methoxyphenyl)methyl]-5-(3-propyl-1,2,4-oxadiazol-5-yl)piperidin-2-one

C18H23N3O3 — CID 72876939

IUPAC1-[(3-methoxyphenyl)methyl]-5-(3-propyl-1,2,4-oxadiazol-5-yl)piperidin-2-one
SMILESCCCc1noc(C2CCC(=O)N(Cc3cccc(OC)c3)C2)n1
InChIInChI=1S/C18H23N3O3/c1-3-5-16-19-18(24-20-16)14-8-9-17(22)21(12-14)11-13-6-4-7-15(10-13)23-2/h4,6-7,10,14H,3,5,8-9,11-12H2,1-2H3
InChIKeyWQQSFBOKEYPGNQ-UHFFFAOYSA-N
MW329.40 g/mol
LogP2.94
Rot. Bonds6

About 1-[(3-methoxyphenyl)methyl]-5-(3-propyl-1,2,4-oxadiazol-5-yl)piperidin-2-one

1-[(3-methoxyphenyl)methyl]-5-(3-propyl-1,2,4-oxadiazol-5-yl)piperidin-2-one (PubChem CID 72876939) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is 1-[(3-methoxyphenyl)methyl]-5-(3-propyl-1,2,4-oxadiazol-5-yl)piperidin-2-one.

Molecular Properties

Compound Name1-[(3-methoxyphenyl)methyl]-5-(3-propyl-1,2,4-oxadiazol-5-yl)piperidin-2-one
PubChem CID72876939
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC Name1-[(3-methoxyphenyl)methyl]-5-(3-propyl-1,2,4-oxadiazol-5-yl)piperidin-2-one
SMILESCCCc1noc(C2CCC(=O)N(Cc3cccc(OC)c3)C2)n1
InChIInChI=1S/C18H23N3O3/c1-3-5-16-19-18(24-20-16)14-8-9-17(22)21(12-14)11-13-6-4-7-15(10-13)23-2/h4,6-7,10,14H,3,5,8-9,11-12H2,1-2H3
InChIKeyWQQSFBOKEYPGNQ-UHFFFAOYSA-N
XLogP2.94
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(3-methoxyphenyl)methyl]-5-[3-(morpholin-4-ylmethyl)-1,2,4-oxadiazol-5-yl]piperidin-2-one
CID 72889204
(5S)-1-[(3-methoxyphenyl)methyl]-5-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-2-one
CID 97130321
1-[(3-fluorophenyl)methyl]-5-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidin-2-one
CID 72838295
5-(3-imidazo[1,2-a]pyridin-2-yl-1,2,4-oxadiazol-5-yl)-1-[(3-methoxyphenyl)methyl]piperidin-2-one
CID 72925631
(5S)-5-(3-imidazo[1,2-a]pyridin-2-yl-1,2,4-oxadiazol-5-yl)-1-[(3-methoxyphenyl)methyl]piperidin-2-one
CID 97149297
(5R)-5-(3-propyl-1,2,4-oxadiazol-5-yl)-1-(pyridin-2-ylmethyl)piperidin-2-one
CID 97147997
(5S)-1-[(3-fluorophenyl)methyl]-5-[3-[(1-methylpiperidin-4-yl)methyl]-1,2,4-oxadiazol-5-yl]piperidin-2-one
CID 97110556
5-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-1-[(2-methoxyphenyl)methyl]piperidin-2-one
CID 72870039
(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
(4R)-4-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-1-(pyridin-3-ylmethyl)pyrrolidin-2-one
CID 97434734
N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-1-[(3-methoxyphenyl)methyl]-6-oxopiperidine-3-carboxamide
CID 45187533

Frequently Asked Questions

What is the IUPAC name of 1-[(3-methoxyphenyl)methyl]-5-(3-propyl-1,2,4-oxadiazol-5-yl)piperidin-2-one?
The IUPAC name of 1-[(3-methoxyphenyl)methyl]-5-(3-propyl-1,2,4-oxadiazol-5-yl)piperidin-2-one (CID 72876939) is 1-[(3-methoxyphenyl)methyl]-5-(3-propyl-1,2,4-oxadiazol-5-yl)piperidin-2-one.
What is the SMILES notation for 1-[(3-methoxyphenyl)methyl]-5-(3-propyl-1,2,4-oxadiazol-5-yl)piperidin-2-one?
The canonical SMILES for 1-[(3-methoxyphenyl)methyl]-5-(3-propyl-1,2,4-oxadiazol-5-yl)piperidin-2-one is CCCc1noc(C2CCC(=O)N(Cc3cccc(OC)c3)C2)n1.
What is the InChIKey of 1-[(3-methoxyphenyl)methyl]-5-(3-propyl-1,2,4-oxadiazol-5-yl)piperidin-2-one?
The InChIKey is WQQSFBOKEYPGNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3/c1-3-5-16-19-18(24-20-16)14-8-9-17(22)21(12-14)11-13-6-4-7-15(10-13)23-2/h4,6-7,10,14H,3,5,8-9,11-12H2,1-2H3.
What are the key properties of 1-[(3-methoxyphenyl)methyl]-5-(3-propyl-1,2,4-oxadiazol-5-yl)piperidin-2-one?
1-[(3-methoxyphenyl)methyl]-5-(3-propyl-1,2,4-oxadiazol-5-yl)piperidin-2-one has a molecular weight of 329.40 g/mol, XLogP of 2.94, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methoxyphenyl)methyl]-5-(3-propyl-1,2,4-oxadiazol-5-yl)piperidin-2-one is sourced from PubChem (CID 72876939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).